 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer02_STD_LCPBE_augccpVDZ.in
 Output=22_phenylethanamine_conformer02_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-5810.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5826.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=22_phenylethanamine_conformer02_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028200000
 0,3/108=0282000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=282000000,108=282000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "22_phenylethanamine_conformer02_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.772654000000      1.254975000000      0.322747000000
  C                                                 0.398664000000      1.096214000000      0.195259000000
  C                                                -0.142652000000     -0.142756000000     -0.146542000000
  C                                                 0.720678000000     -1.214760000000     -0.360157000000
  C                                                 2.095925000000     -1.060117000000     -0.230036000000
  C                                                 2.626396000000      0.177369000000      0.112866000000
  C                                                -1.641706000000     -0.341888000000     -0.237223000000
  N                                                -2.275754000000      0.831618000000     -0.845752000000
  C                                                -2.248939000000     -0.563784000000      1.149323000000
  H                                                -3.279530000000      0.704813000000     -0.898651000000
  H                                                -1.809734000000     -1.256656000000     -0.824262000000
  H                                                -2.083473000000      0.313962000000      1.775341000000
  H                                                -1.795695000000     -1.428876000000      1.633948000000
  H                                                -3.325560000000     -0.738248000000      1.075630000000
  H                                                 0.311141000000     -2.180305000000     -0.634440000000
  H                                                 2.752158000000     -1.903833000000     -0.402347000000
  H                                                 3.697081000000      0.302924000000      0.210779000000
  H                                                 2.179271000000      2.223269000000      0.586598000000
  H                                                -0.268537000000      1.933636000000      0.348722000000
  H                                                -1.932969000000      0.976467000000     -1.788479000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388995   0.000000
     3  C    2.417081   1.394596   0.000000
     4  C    2.769946   2.398496   1.392897   0.000000
     5  C    2.402025   2.776929   2.420692   1.390018   0.000000
     6  C    1.390741   2.411194   2.799536   2.406976   1.389371
     7  C    3.810694   2.533434   1.514939   2.521483   3.806020
     8  N    4.234882   2.882052   2.447126   3.660884   4.803056
     9  C    4.490470   3.267359   2.508580   3.394249   4.585501
    10  H    5.226763   3.857324   3.335273   4.469497   5.697152
    11  H    4.522988   3.384146   2.116422   2.572962   3.955490
    12  H    4.226730   3.044599   2.769298   3.841953   4.834976
    13  H    4.653538   3.641582   2.748964   3.217831   4.330719
    14  H    5.525537   4.243837   3.461101   4.319790   5.585773
    15  H    3.854008   3.381070   2.143730   1.084080   2.145651
    16  H    3.385743   3.859579   3.398051   2.145580   1.082677
    17  H    2.149967   3.392507   3.881992   3.389441   2.148464
    18  H    1.082843   2.143353   3.395128   3.852776   3.384444
    19  H    2.151213   1.081658   2.138349   3.375419   3.858523
    20  H    4.273931   3.063669   2.674669   3.726046   4.775815
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.313802   0.000000
     8  N    5.037665   1.466097   0.000000
     9  C    5.039091   1.529863   2.434787   0.000000
    10  H    6.015091   2.053177   1.013136   2.620239   0.000000
    11  H    4.755406   1.099840   2.139749   2.137290   2.452182
    12  H    4.996533   2.162339   2.678632   1.090741   2.955258
    13  H    4.944553   2.169455   3.389573   1.090264   3.628836
    14  H    6.098446   2.171647   2.694120   1.093152   2.445880
    15  H    3.387846   2.711304   3.975973   3.514109   4.613744
    16  H    2.147711   4.666152   5.741010   5.405033   6.590342
    17  H    1.082459   5.396215   6.088558   6.081710   7.075694
    18  H    2.147103   4.675316   4.882168   5.262449   5.857489
    19  H    3.394221   2.721568   2.582660   3.286345   3.483106
    20  H    5.004146   2.056524   1.013517   3.332100   1.636709
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.049543   0.000000
    13  H    2.464275   1.772087   0.000000
    14  H    2.485169   1.771869   1.768947   0.000000
    15  H    2.321049   4.214569   3.185748   4.269597   0.000000
    16  H    4.626847   5.748414   5.005502   6.362520   2.467563
    17  H    5.816237   5.988554   5.932548   7.151887   4.283154
    18  H    5.478372   4.819704   5.498678   6.270000   4.936832
    19  H    3.732177   2.820032   3.910307   4.124651   4.269326
    20  H    2.435516   3.627999   4.185394   3.616998   4.041416
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477616   0.000000
    18  H    4.282427   2.476431   0.000000
    19  H    4.941141   4.290032   2.476335   0.000000
    20  H    5.671676   6.012334   4.909789   2.873001   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4441865           1.1140904           0.9851179
 Leave Link  202 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.7450469049 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.282000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.282000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:              10.3 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.74D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer02_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:22:10 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636928854 LenY=  5636823437
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.062986669503    
 DIIS: error= 3.38D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.062986669503     IErMin= 1 ErrMin= 3.38D-03
 ErrMax= 3.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.30D-03 BMatP= 9.30D-03
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.38D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.381 Goal=   None    Shift=    0.000
 GapD=    0.381 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.11D-02 MaxDP=2.74D+00              OVMax= 2.06D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.92D-02    CP:  1.66D+00
 E= -365.071811152820     Delta-E=       -0.008824483316 Rises=F Damp=F
 DIIS: error= 7.90D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.071811152820     IErMin= 2 ErrMin= 7.90D-04
 ErrMax= 7.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-04 BMatP= 9.30D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.90D-03
 Coeff-Com: -0.169D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.168D-01 0.102D+01
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=9.43D-03 MaxDP=5.41D-01 DE=-8.82D-03 OVMax= 5.63D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.92D-03    CP:  1.78D+00  1.18D+00
 E= -365.072081307524     Delta-E=       -0.000270154704 Rises=F Damp=F
 DIIS: error= 3.32D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.072081307524     IErMin= 3 ErrMin= 3.32D-04
 ErrMax= 3.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-04 BMatP= 2.77D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.32D-03
 Coeff-Com: -0.291D-01 0.428D+00 0.601D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.290D-01 0.427D+00 0.602D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=1.06D-03 MaxDP=5.39D-02 DE=-2.70D-04 OVMax= 2.82D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.80D-04    CP:  1.79D+00  1.20D+00  1.10D+00
 E= -365.072217774309     Delta-E=       -0.000136466785 Rises=F Damp=F
 DIIS: error= 7.48D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.072217774309     IErMin= 4 ErrMin= 7.48D-05
 ErrMax= 7.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.12D-06 BMatP= 1.48D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.412D-02-0.185D-01 0.135D+00 0.888D+00
 Coeff:     -0.412D-02-0.185D-01 0.135D+00 0.888D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=4.78D-04 MaxDP=2.55D-02 DE=-1.36D-04 OVMax= 1.21D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.13D-04    CP:  1.79D+00  1.21D+00  1.20D+00  1.33D+00
 E= -365.072226464214     Delta-E=       -0.000008689905 Rises=F Damp=F
 DIIS: error= 3.83D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.072226464214     IErMin= 5 ErrMin= 3.83D-05
 ErrMax= 3.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-06 BMatP= 7.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.116D-02-0.496D-01-0.404D-02 0.349D+00 0.703D+00
 Coeff:      0.116D-02-0.496D-01-0.404D-02 0.349D+00 0.703D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=8.20D-05 MaxDP=5.79D-03 DE=-8.69D-06 OVMax= 4.93D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.23D-05    CP:  1.79D+00  1.21D+00  1.22D+00  1.40D+00  1.27D+00
 E= -365.072227926133     Delta-E=       -0.000001461919 Rises=F Damp=F
 DIIS: error= 6.97D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.072227926133     IErMin= 6 ErrMin= 6.97D-06
 ErrMax= 6.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.69D-08 BMatP= 1.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.674D-03-0.764D-02-0.118D-01-0.154D-01 0.141D+00 0.893D+00
 Coeff:      0.674D-03-0.764D-02-0.118D-01-0.154D-01 0.141D+00 0.893D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=3.20D-05 MaxDP=1.75D-03 DE=-1.46D-06 OVMax= 2.11D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.48D-06    CP:  1.79D+00  1.21D+00  1.23D+00  1.46D+00  1.39D+00
                    CP:  1.18D+00
 E= -365.072228046720     Delta-E=       -0.000000120588 Rises=F Damp=F
 DIIS: error= 2.82D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.072228046720     IErMin= 7 ErrMin= 2.82D-06
 ErrMax= 2.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.44D-09 BMatP= 5.69D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-03 0.203D-02-0.323D-02-0.398D-01-0.216D-01 0.287D+00
 Coeff-Com:  0.775D+00
 Coeff:      0.122D-03 0.203D-02-0.323D-02-0.398D-01-0.216D-01 0.287D+00
 Coeff:      0.775D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=1.03D-05 MaxDP=5.01D-04 DE=-1.21D-07 OVMax= 7.08D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.02D-06    CP:  1.79D+00  1.21D+00  1.23D+00  1.47D+00  1.41D+00
                    CP:  1.26D+00  1.08D+00
 E= -365.072228062450     Delta-E=       -0.000000015730 Rises=F Damp=F
 DIIS: error= 1.40D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.072228062450     IErMin= 8 ErrMin= 1.40D-06
 ErrMax= 1.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-09 BMatP= 9.44D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.766D-04 0.227D-02 0.740D-03-0.157D-01-0.333D-01-0.244D-01
 Coeff-Com:  0.340D+00 0.731D+00
 Coeff:     -0.766D-04 0.227D-02 0.740D-03-0.157D-01-0.333D-01-0.244D-01
 Coeff:      0.340D+00 0.731D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=3.21D-06 MaxDP=1.43D-04 DE=-1.57D-08 OVMax= 3.06D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.28D-06    CP:  1.79D+00  1.21D+00  1.23D+00  1.47D+00  1.41D+00
                    CP:  1.28D+00  1.17D+00  1.00D+00
 E= -365.072228065513     Delta-E=       -0.000000003062 Rises=F Damp=F
 DIIS: error= 2.45D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.072228065513     IErMin= 9 ErrMin= 2.45D-07
 ErrMax= 2.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.80D-11 BMatP= 1.95D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.166D-04 0.116D-03 0.324D-03 0.120D-02-0.169D-02-0.262D-01
 Coeff-Com: -0.189D-01 0.995D-01 0.946D+00
 Coeff:     -0.166D-04 0.116D-03 0.324D-03 0.120D-02-0.169D-02-0.262D-01
 Coeff:     -0.189D-01 0.995D-01 0.946D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=8.84D-07 MaxDP=6.48D-05 DE=-3.06D-09 OVMax= 7.54D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.60D-07    CP:  1.79D+00  1.21D+00  1.23D+00  1.47D+00  1.41D+00
                    CP:  1.28D+00  1.18D+00  1.05D+00  1.17D+00
 E= -365.072228065670     Delta-E=       -0.000000000158 Rises=F Damp=F
 DIIS: error= 1.19D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.072228065670     IErMin=10 ErrMin= 1.19D-07
 ErrMax= 1.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-11 BMatP= 5.80D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.309D-06-0.163D-03 0.597D-04 0.196D-02 0.249D-02-0.856D-02
 Coeff-Com: -0.389D-01-0.273D-01 0.391D+00 0.679D+00
 Coeff:      0.309D-06-0.163D-03 0.597D-04 0.196D-02 0.249D-02-0.856D-02
 Coeff:     -0.389D-01-0.273D-01 0.391D+00 0.679D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=3.46D-07 MaxDP=1.83D-05 DE=-1.58D-10 OVMax= 2.21D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.02D-07    CP:  1.79D+00  1.21D+00  1.23D+00  1.47D+00  1.41D+00
                    CP:  1.28D+00  1.18D+00  1.06D+00  1.20D+00  1.03D+00
 E= -365.072228065706     Delta-E=       -0.000000000036 Rises=F Damp=F
 DIIS: error= 3.33D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -365.072228065706     IErMin=11 ErrMin= 3.33D-08
 ErrMax= 3.33D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.94D-13 BMatP= 1.42D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.224D-05-0.628D-04-0.234D-04 0.426D-03 0.851D-03 0.569D-03
 Coeff-Com: -0.818D-02-0.207D-01-0.700D-02 0.179D+00 0.855D+00
 Coeff:      0.224D-05-0.628D-04-0.234D-04 0.426D-03 0.851D-03 0.569D-03
 Coeff:     -0.818D-02-0.207D-01-0.700D-02 0.179D+00 0.855D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=1.00D-07 MaxDP=5.48D-06 DE=-3.60D-11 OVMax= 8.76D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.71D-08    CP:  1.79D+00  1.21D+00  1.23D+00  1.47D+00  1.41D+00
                    CP:  1.28D+00  1.18D+00  1.06D+00  1.21D+00  1.11D+00
                    CP:  9.96D-01
 E= -365.072228065664     Delta-E=        0.000000000043 Rises=F Damp=F
 DIIS: error= 1.19D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -365.072228065706     IErMin=12 ErrMin= 1.19D-08
 ErrMax= 1.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-13 BMatP= 9.94D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.540D-06 0.623D-06-0.133D-04-0.878D-04-0.670D-04 0.109D-02
 Coeff-Com:  0.223D-02-0.280D-02-0.435D-01-0.288D-01 0.216D+00 0.856D+00
 Coeff:      0.540D-06 0.623D-06-0.133D-04-0.878D-04-0.670D-04 0.109D-02
 Coeff:      0.223D-02-0.280D-02-0.435D-01-0.288D-01 0.216D+00 0.856D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=1.79D-08 MaxDP=7.92D-07 DE= 4.29D-11 OVMax= 3.87D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.49D-09    CP:  1.79D+00  1.21D+00  1.23D+00  1.47D+00  1.41D+00
                    CP:  1.28D+00  1.18D+00  1.06D+00  1.20D+00  1.13D+00
                    CP:  1.05D+00  1.07D+00
 E= -365.072228065669     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 5.90D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -365.072228065706     IErMin=13 ErrMin= 5.90D-09
 ErrMax= 5.90D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-14 BMatP= 1.22D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.569D-07 0.864D-05-0.291D-05-0.920D-04-0.149D-03 0.356D-03
 Coeff-Com:  0.206D-02 0.172D-02-0.161D-01-0.377D-01-0.416D-01 0.364D+00
 Coeff-Com:  0.728D+00
 Coeff:     -0.569D-07 0.864D-05-0.291D-05-0.920D-04-0.149D-03 0.356D-03
 Coeff:      0.206D-02 0.172D-02-0.161D-01-0.377D-01-0.416D-01 0.364D+00
 Coeff:      0.728D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=9.06D-09 MaxDP=6.27D-07 DE=-5.80D-12 OVMax= 1.25D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -365.072228066     A.U. after   13 cycles
            NFock= 13  Conv=0.91D-08     -V/T= 2.0048
 KE= 3.633451041686D+02 PE=-1.700048894068D+03 EE= 5.458865149284D+02
 Leave Link  502 at Mon Aug 16 21:24:16 2021, MaxMem=  5637144576 cpu:            1010.7 elap:             126.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.11505578D+03

 Leave Link  801 at Mon Aug 16 21:24:17 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.12D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 2.13D-01 5.88D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 4.14D-02 4.61D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 3.59D-03 1.18D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 3.07D-04 4.17D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 3.28D-05 7.56D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 1.32D-06 1.34D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 3.00D-08 2.78D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 6.50D-10 4.04D-06.
     11 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 1.28D-11 5.05D-07.
      7 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 2.76D-13 9.15D-08.
      2 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 1.46D-14 1.47D-08.
      1 vectors produced by pass 12 Test12= 1.50D-13 8.33D-09 XBig12= 7.23D-15 1.49D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.136206D+03
      2  0.158151D+00  0.109635D+03
      3  0.127914D+01  0.593351D+01  0.798221D+02
 Isotropic polarizability for W=    0.085645      108.55 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.662534D+02  0.495919D+01  0.261171D+01
      2  -0.177182D+02 -0.548993D+01 -0.706213D+01
      3  -0.485352D+02  0.530738D+00  0.445042D+01
      4  -0.540732D+01  0.599636D+02  0.344694D+02
      5   0.192907D+02  0.355732D+02 -0.363175D+02
      6   0.145806D+02  0.491243D+01 -0.391122D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.194929D+01  0.157983D+01  0.121157D+00
      2   0.381538D+01  0.139948D+02 -0.134438D+02
      3  -0.371950D+01 -0.308091D+02 -0.126954D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.110383D+01  0.119746D+02  0.444195D+01
      2  -0.166790D+02  0.198887D+02  0.122177D+02
      3  -0.103665D+02 -0.776818D+02 -0.209926D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.925629D+00 -0.193686D+01  0.159015D+00
      2  -0.193686D+01 -0.235017D+01  0.288021D+01
      3   0.159015D+00  0.288021D+01  0.774597D+00
 OR G Eigenvalues:    -4.6239     1.0258     2.9482  Iso=     0.2166
 Eigenvectors:
   (1)   0.304989   0.836490  -0.455266
   (2)   0.828086   0.003182   0.560592
   (3)  -0.470378   0.547973   0.691715
 w=    0.085645 a.u., Optical Rotation Beta=      0.2166 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       84.79 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 1.97D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.32D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 4.23D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 4.16D-02 2.86D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 2.39D-03 6.58D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 2.74D-05 9.58D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 4.72D-07 1.07D-04.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 5.16D-09 8.60D-06.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 4.68D-11 7.66D-07.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 3.25D-13 8.11D-08.
     13 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 4.56D-15 1.06D-08.
      4 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 6.88D-16 3.38D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   257 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 6.50D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 6.50D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.20D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136206D+03  0.158151D+00  0.127914D+01
      2   0.158151D+00  0.109635D+03  0.593351D+01
      3   0.127914D+01  0.593351D+01  0.798221D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.194929D+01  0.157983D+01  0.121157D+00
      2   0.381538D+01  0.139948D+02 -0.134438D+02
      3  -0.371950D+01 -0.308091D+02 -0.126954D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.662534D+02  0.495919D+01  0.261171D+01
      2  -0.177182D+02 -0.548993D+01 -0.706213D+01
      3  -0.485352D+02  0.530738D+00  0.445042D+01
      4  -0.540732D+01  0.599636D+02  0.344694D+02
      5   0.192907D+02  0.355732D+02 -0.363175D+02
      6   0.145806D+02  0.491243D+01 -0.391122D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.407186D+01 -0.641942D+00 -0.164111D+00  0.502990D+01  0.340913D+00
      2  -0.641942D+00  0.242705D+01 -0.240811D+00  0.340913D+00  0.126484D+01
      3  -0.164111D+00 -0.240811D+00  0.775168D+00 -0.433027D+00 -0.117700D+01
                 6             7             8             9            10 
      1  -0.433027D+00  0.808075D+00 -0.797021D+00  0.194308D+01  0.374257D+01
      2  -0.117700D+01 -0.797021D+00 -0.144376D+01  0.354841D+01 -0.462340D+00
      3   0.182987D+01  0.194308D+01  0.354841D+01  0.270927D+01  0.182827D+00
                11            12            13            14            15 
      1  -0.462340D+00  0.182827D+00  0.801924D+01 -0.111806D-01  0.220468D+00
      2  -0.345185D+01 -0.602216D+00 -0.111806D-01  0.167848D+01 -0.818418D+00
      3  -0.602216D+00 -0.189509D+01  0.220468D+00 -0.818418D+00  0.139263D+01
                16            17            18            19            20 
      1   0.266298D+01 -0.184698D-01 -0.180933D+01 -0.178276D+02 -0.234596D+01
      2  -0.184698D-01 -0.151056D+01  0.289950D+01 -0.234596D+01 -0.230750D+01
      3  -0.180933D+01  0.289950D+01  0.139845D+01  0.396671D+00  0.167208D+00
                21            22            23            24            25 
      1   0.396671D+00 -0.294724D+01  0.106925D+01  0.151331D+01 -0.557305D+00
      2   0.167208D+00  0.106925D+01 -0.481663D+00 -0.327665D+00  0.139249D+01
      3  -0.218137D+01  0.151331D+01 -0.327665D+00  0.891847D-01 -0.398868D+01
                26            27            28            29            30 
      1   0.139249D+01 -0.398868D+01  0.505737D+01  0.245076D+01  0.682803D+00
      2  -0.640356D+00 -0.553039D+00  0.245076D+01 -0.244117D+01 -0.165743D+00
      3  -0.553039D+00 -0.763477D+00  0.682803D+00 -0.165743D+00 -0.117055D+01
                31            32            33            34            35 
      1  -0.670300D+01 -0.558146D+00  0.298402D+00 -0.935998D+00  0.102100D+01
      2  -0.558146D+00 -0.182454D+01  0.116431D+01  0.102100D+01  0.125920D+01
      3   0.298402D+00  0.116431D+01 -0.149816D+01 -0.853812D+00 -0.321667D+01
                36            37            38            39            40 
      1  -0.853812D+00 -0.252988D+01 -0.765434D+00 -0.373485D+00 -0.566426D+01
      2  -0.321667D+01 -0.765434D+00  0.273141D+01  0.862209D+00 -0.705812D+00
      3  -0.285379D+01 -0.373485D+00  0.862209D+00  0.183761D+01 -0.100096D+01
                41            42            43            44            45 
      1  -0.705812D+00 -0.100096D+01 -0.166204D+01 -0.770209D+00  0.294731D+01
      2  -0.978569D+00  0.140863D+01 -0.770209D+00  0.191445D+01 -0.298115D+01
      3   0.140863D+01 -0.167434D+01  0.294731D+01 -0.298115D+01 -0.174042D+01
                46            47            48            49            50 
      1   0.591704D+01  0.451364D+00 -0.449027D+00  0.102938D+01 -0.483683D+00
      2   0.451364D+00  0.321622D+01  0.743665D-01 -0.483683D+00  0.201694D+00
      3  -0.449027D+00  0.743665D-01  0.285465D+01 -0.144909D+01 -0.640657D+00
                51            52            53            54            55 
      1  -0.144909D+01 -0.954126D-01 -0.145681D+01  0.522553D+01  0.425433D+01
      2  -0.640657D+00 -0.145681D+01  0.123094D-01  0.389936D+00  0.596833D+00
      3   0.250577D-01  0.522553D+01  0.389936D+00  0.987194D+00 -0.104129D+01
                56            57            58            59            60 
      1   0.596833D+00 -0.104129D+01  0.500099D+00  0.192975D+01 -0.248930D+01
      2   0.110709D+01 -0.105552D+01  0.192975D+01  0.553740D+01  0.351814D+01
      3  -0.105552D+01  0.246452D+01 -0.248930D+01  0.351814D+01  0.669501D+00
                61            62            63            64            65 
      1  -0.531737D+01 -0.199394D+01  0.451429D+01  0.681213D+01  0.125866D+01
      2  -0.199394D+01  0.360332D+01  0.268030D+01  0.125866D+01 -0.801761D+00
      3   0.451429D+01  0.268030D+01 -0.167822D+01  0.128446D+01  0.477428D+00
                66            67            68            69            70 
      1   0.128446D+01  0.315365D+01 -0.163394D+01  0.126753D+01  0.150202D+01
      2   0.477428D+00 -0.163394D+01  0.579680D+00 -0.176817D+01  0.345974D+00
      3  -0.186972D+01  0.126753D+01 -0.176817D+01 -0.645681D+00 -0.177835D+01
                71            72            73            74            75 
      1   0.345974D+00 -0.177835D+01  0.890870D+01  0.199459D+01 -0.985617D-01
      2  -0.292101D+00 -0.132497D+01  0.199459D+01 -0.203412D+01  0.108887D+01
      3  -0.132497D+01  0.499020D+01 -0.985617D-01  0.108887D+01 -0.269185D+01
                76            77            78            79            80 
      1   0.159285D+01 -0.179544D+01  0.158184D+01  0.522130D+01  0.180877D+01
      2  -0.179544D+01  0.295957D+00 -0.423537D+01  0.180877D+01 -0.284187D+01
      3   0.158184D+01 -0.423537D+01 -0.115836D+01 -0.401064D+01 -0.170360D+01
                81            82            83            84            85 
      1  -0.401064D+01 -0.125681D+02  0.822053D+00 -0.250425D+01 -0.405216D-01
      2  -0.170360D+01  0.822053D+00 -0.963967D+00  0.439451D+00 -0.456199D+00
      3   0.123499D+01 -0.250425D+01  0.439451D+00 -0.192026D+01  0.239552D+00
                86            87            88            89            90 
      1  -0.456199D+00  0.239552D+00 -0.264155D+00  0.246649D+00 -0.815588D+00
      2   0.606278D+00  0.112964D+00  0.246649D+00  0.425814D+00  0.212280D+00
      3   0.112964D+00  0.287631D-01 -0.815588D+00  0.212280D+00 -0.513896D+00
                91            92            93            94            95 
      1   0.472758D-01 -0.121439D+01 -0.477695D+00 -0.269248D+01 -0.138657D+01
      2  -0.121439D+01 -0.125409D+01 -0.243613D+00 -0.138657D+01 -0.676180D+01
      3  -0.477695D+00 -0.243613D+00 -0.892961D+00 -0.325013D+00 -0.200298D+01
                96            97            98            99           100 
      1  -0.325013D+00 -0.674248D+00 -0.251492D+00 -0.113799D+01 -0.376898D+00
      2  -0.200298D+01 -0.251492D+00 -0.306822D+01 -0.201448D+01  0.459737D+00
      3  -0.201691D+01 -0.113799D+01 -0.201448D+01 -0.181084D+01  0.348937D+00
               101           102           103           104           105 
      1   0.459737D+00  0.348937D+00  0.181480D+01 -0.453067D-01 -0.806054D+00
      2   0.380119D+00  0.198338D-01 -0.453067D-01  0.316200D+01  0.220873D+01
      3   0.198338D-01  0.826261D+00 -0.806054D+00  0.220873D+01  0.349193D+01
               106           107           108           109           110 
      1   0.826565D+00 -0.208313D+00 -0.113506D+00  0.316393D+00 -0.957191D+00
      2  -0.208313D+00  0.194667D+01  0.156627D+01 -0.957191D+00  0.146746D+01
      3  -0.113506D+00  0.156627D+01  0.355772D+01  0.478853D+00 -0.966007D+00
               111           112           113           114           115 
      1   0.478853D+00 -0.171304D+01  0.457284D+00 -0.149174D+00  0.386819D+00
      2  -0.966007D+00  0.457284D+00 -0.448793D+01  0.273783D+01 -0.357245D+00
      3   0.162303D+01 -0.149174D+00  0.273783D+01 -0.262712D+01  0.424041D+00
               116           117           118           119           120 
      1  -0.357245D+00  0.424041D+00 -0.134314D+02 -0.208059D+01  0.181379D+01
      2   0.194978D+01 -0.166328D+01 -0.208059D+01 -0.134326D+01  0.383262D+00
      3  -0.166328D+01  0.257261D+01  0.181379D+01  0.383262D+00 -0.169491D+01
               121           122           123           124           125 
      1  -0.201901D+01 -0.146422D+01  0.172483D+00 -0.100843D+01 -0.225405D+00
      2  -0.146422D+01 -0.854735D+00  0.623067D+00 -0.225405D+00  0.633507D-01
      3   0.172483D+00  0.623067D+00 -0.261082D+00 -0.745309D+00 -0.301686D-01
               126           127           128           129           130 
      1  -0.745309D+00 -0.168022D+01 -0.162687D+01 -0.520412D+00 -0.162887D+01
      2  -0.301686D-01 -0.162687D+01 -0.210863D+01 -0.616799D+00 -0.192461D+01
      3  -0.324846D-01 -0.520412D+00 -0.616799D+00 -0.420578D+00 -0.518003D+00
               131           132           133           134           135 
      1  -0.192461D+01 -0.518003D+00 -0.688790D+00 -0.693987D+00 -0.122723D+00
      2  -0.787630D+01 -0.202282D+01 -0.693987D+00 -0.219655D+01 -0.674589D+00
      3  -0.202282D+01 -0.145838D+01 -0.122723D+00 -0.674589D+00 -0.459177D+00
               136           137           138           139           140 
      1   0.488549D+01 -0.376390D+01 -0.723959D+00 -0.374833D+01  0.431648D+01
      2  -0.376390D+01  0.349134D+01  0.540304D+00  0.431648D+01 -0.639655D+01
      3  -0.723959D+00  0.540304D+00  0.704223D+00  0.941837D+00 -0.119819D+01
               141           142           143           144           145 
      1   0.941837D+00 -0.716820D+00  0.817664D+00  0.226687D+00  0.131328D+02
      2  -0.119819D+01  0.817664D+00 -0.145266D+01 -0.305069D+00  0.117766D+01
      3  -0.105317D+01  0.226687D+00 -0.305069D+00 -0.249424D+00  0.978925D+00
               146           147           148           149           150 
      1   0.117766D+01  0.978925D+00  0.111182D+01  0.161691D+01  0.478127D+00
      2   0.965878D+00  0.568130D-01  0.161691D+01  0.453419D+00  0.148191D+00
      3   0.568130D-01  0.106709D+01  0.478127D+00  0.148191D+00  0.159440D+00
               151           152           153           154           155 
      1   0.100326D+01  0.464522D+00  0.887641D-01  0.231117D+01  0.257219D+01
      2   0.464522D+00  0.137420D+00  0.295913D-01  0.257219D+01  0.277730D+01
      3   0.887641D-01  0.295913D-01  0.154325D+00  0.730384D+00  0.710271D+00
               156           157           158           159           160 
      1   0.730384D+00  0.239269D+01  0.367764D+01  0.959094D+00  0.808457D+00
      2   0.710271D+00  0.367764D+01  0.896369D+01  0.211559D+01  0.107339D+01
      3   0.580908D+00  0.959094D+00  0.211559D+01  0.148154D+01  0.324593D+00
               161           162           163           164           165 
      1   0.107339D+01  0.324593D+00 -0.363309D+01  0.205981D+01  0.928198D-01
      2   0.230553D+01  0.599806D+00  0.205981D+01 -0.247553D+01 -0.306070D+00
      3   0.599806D+00  0.416410D+00  0.928198D-01 -0.306070D+00 -0.491874D+00
               166           167           168           169           170 
      1   0.249210D+01 -0.260222D+01 -0.498083D+00  0.213403D+00 -0.493837D+00
      2  -0.260222D+01  0.554443D+01  0.872983D+00 -0.493837D+00  0.112777D+01
      3  -0.498083D+00  0.872983D+00  0.964238D+00 -0.803874D-01  0.275942D+00
               171           172           173           174           175 
      1  -0.803874D-01  0.733776D+00  0.149549D-01 -0.637683D+00  0.202187D-01
      2   0.275942D+00  0.149549D-01  0.618005D+00 -0.623239D+00 -0.340913D+00
      3   0.293483D+00 -0.637683D+00 -0.623239D+00  0.249571D+01 -0.393803D-02
               176           177           178           179           180 
      1  -0.340913D+00 -0.393803D-02 -0.151231D+01  0.962744D-01 -0.237993D+00
      2   0.137423D+01 -0.719157D+00  0.962744D-01 -0.129952D+01  0.226498D+01
      3  -0.719157D+00  0.226107D+01 -0.237993D+00  0.226498D+01 -0.821293D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.188154D-02  0.110172D+01 -0.204111D+01  0.168162D+01  0.785657D-01
      2  -0.707629D+00  0.283427D+01  0.364882D+00  0.139414D+01 -0.348883D+01
      3   0.238704D+01 -0.124514D+02 -0.246631D+01  0.338850D+01 -0.133878D+01
                 6             7             8             9            10 
      1  -0.318419D+01 -0.495643D+01  0.911393D+00 -0.110500D+01 -0.441680D+00
      2   0.475312D+01 -0.831616D+01  0.853200D+01  0.454149D+01  0.146409D+01
      3   0.209571D+01 -0.693577D+00  0.298416D+01 -0.444508D+01  0.110974D+01
                11            12            13            14            15 
      1  -0.309982D+00  0.293670D+01 -0.709519D+00  0.183314D+00 -0.215033D+01
      2   0.351910D+00 -0.141007D+01  0.426347D+01  0.938109D+00  0.794985D+00
      3   0.114298D+01  0.128656D+01  0.256985D+01 -0.718178D+01  0.763170D+00
                16            17            18            19            20 
      1   0.671697D+01  0.312289D+01  0.283372D+00 -0.129350D+01 -0.450097D+00
      2  -0.120283D+02 -0.119194D+00  0.678302D+00 -0.370801D+01 -0.127792D+01
      3  -0.107164D+01  0.184171D+00 -0.578017D+01  0.488639D+00  0.794799D+01
                21            22            23            24            25 
      1   0.178430D+00 -0.119692D+01 -0.386263D+01  0.824971D+00 -0.265030D+00
      2  -0.210151D+01 -0.126192D+01  0.631281D+00  0.948937D-01 -0.150330D+02
      3   0.105048D+01  0.172287D+02  0.227247D+01 -0.185457D+01 -0.312424D+00
                26            27            28            29            30 
      1   0.981670D+01  0.267523D+01  0.243011D+00  0.165641D+01 -0.225132D+01
      2   0.621326D+00 -0.144250D+00  0.387894D+01  0.160880D+01 -0.944723D+00
      3  -0.943506D+00  0.220509D+00 -0.563073D+01 -0.282409D+01 -0.229885D+01
                31            32            33            34            35 
      1   0.100438D+01  0.820358D+00 -0.251261D+01 -0.506695D+01  0.117926D+01
      2   0.192500D+01 -0.760837D+00 -0.132980D+01 -0.136073D+02 -0.145667D+01
      3   0.324207D+01  0.654220D+01  0.109335D+00 -0.276626D+01 -0.760931D+00
                36            37            38            39            40 
      1  -0.617612D+00 -0.498577D+00 -0.115739D+01  0.296382D+01 -0.163921D+01
      2  -0.263831D+01 -0.116759D+01  0.190172D+01  0.269264D+01 -0.113618D+01
      3   0.512284D+01  0.370838D+01 -0.101737D+02 -0.213725D+01  0.698233D+01
                41            42            43            44            45 
      1  -0.336873D+00 -0.208303D+01  0.687341D+01  0.344388D+01  0.120333D+01
      2   0.373282D+01 -0.539808D+01 -0.386180D+01 -0.938355D+01 -0.484473D+01
      3   0.207924D+01 -0.242894D+01  0.147818D+00 -0.368058D+01  0.383377D+01
                46            47            48            49            50 
      1   0.354615D+00 -0.464187D+00 -0.101818D+01 -0.866364D+00 -0.295801D+01
      2   0.358552D+00 -0.399873D+00  0.797796D+01 -0.505739D+01 -0.621577D-02
      3  -0.232326D+01 -0.709783D+01  0.205991D+00  0.109817D+02 -0.190289D+01
                51            52            53            54            55 
      1   0.203873D+01 -0.213800D+01  0.108486D+02  0.316208D+01 -0.842300D+00
      2   0.871332D+00  0.770431D+01  0.196021D+01  0.253403D+01  0.308036D+01
      3   0.124432D+01  0.434248D+01  0.938818D+00 -0.392403D+00 -0.482232D+00
                56            57            58            59            60 
      1  -0.114974D+01 -0.120402D+01  0.316502D+01  0.372557D+01  0.116205D+01
      2   0.100852D+01 -0.257152D+01  0.262356D+01 -0.737972D+01 -0.138746D+01
      3   0.250081D-01  0.995454D+00  0.748865D+01  0.664037D+01  0.732894D+01
                61            62            63            64            65 
      1   0.273967D+01  0.346156D+01 -0.196052D+01 -0.245067D+01  0.262744D+01
      2  -0.145797D+02 -0.650905D+01  0.252530D+01  0.223375D+01 -0.106006D+01
      3  -0.520366D-01  0.126035D+02  0.381339D+01  0.164210D+02 -0.767339D+01
                66            67            68            69            70 
      1   0.290807D+01  0.110322D+00 -0.236971D+01 -0.163313D+01 -0.827562D+00
      2   0.975055D+01  0.637173D+00  0.256818D+01  0.213125D+01  0.102499D+01
      3   0.451683D+01  0.298938D+01  0.303825D+01 -0.413921D+01  0.225940D+01
                71            72            73            74            75 
      1   0.704210D+01 -0.743869D+01  0.365065D+01 -0.307193D+01 -0.184157D+00
      2   0.497752D+01 -0.136123D+02 -0.129126D+02 -0.555491D+01  0.106166D+02
      3  -0.171233D+01 -0.530882D+01  0.461036D+00 -0.999739D+01  0.177720D+01
                76            77            78            79            80 
      1  -0.811391D+00 -0.133893D+01 -0.111916D+02 -0.125914D+01 -0.602077D+01
      2  -0.564450D+01  0.137593D+02  0.168851D+01  0.722991D+01  0.312026D+01
      3  -0.286493D+01  0.248259D+01 -0.140828D+02  0.806203D+00 -0.125510D+02
                81            82            83            84            85 
      1  -0.887437D+00  0.235515D+01  0.112731D+01  0.155690D+01 -0.581310D+00
      2   0.137735D+01 -0.418267D+01 -0.152553D+00  0.569316D+01 -0.110647D+01
      3  -0.171111D+01 -0.117144D+02 -0.524588D+01 -0.198853D+01 -0.813390D+00
                86            87            88            89            90 
      1  -0.317037D+00 -0.664663D+00 -0.247432D+00  0.160753D+00  0.211955D-02
      2  -0.538393D+00  0.922538D+00  0.475171D+00  0.146977D+00  0.851704D+00
      3   0.985767D+00  0.103980D+01  0.275698D-01  0.819361D+00 -0.205583D+00
                91            92            93            94            95 
      1  -0.742424D+00 -0.596834D-01 -0.820655D+00 -0.102656D+01 -0.113175D+00
      2   0.107335D+01  0.299353D+00  0.246306D+01 -0.994210D+00  0.369680D+01
      3  -0.338616D+01 -0.250522D+01 -0.336881D+00  0.394634D+01 -0.123355D+02
                96            97            98            99           100 
      1  -0.475638D+01 -0.911094D+00  0.411213D+00 -0.213543D+01  0.148924D+01
      2   0.362655D+01 -0.130965D+00  0.295827D+01  0.298248D+01 -0.158864D+01
      3  -0.360719D+01  0.156661D+01 -0.610263D+01 -0.288946D+01  0.220970D+01
               101           102           103           104           105 
      1   0.141683D+01  0.241228D+00  0.545753D+00  0.782130D+01  0.351969D+01
      2  -0.943824D+00 -0.182193D+01 -0.182294D+01 -0.639962D+01 -0.803755D+01
      3   0.106018D+01  0.346205D-01  0.193296D+01  0.895229D+01  0.643242D+01
               106           107           108           109           110 
      1  -0.388901D+00  0.593708D+01  0.435787D+01 -0.162031D+01  0.229800D+01
      2  -0.250594D+01 -0.403471D+01 -0.830776D+01 -0.318276D+01  0.331902D+01
      3  -0.358322D+00  0.547126D+01  0.456528D+01 -0.426414D+01  0.426366D+01
               111           112           113           114           115 
      1   0.654883D+00  0.126534D+01 -0.524097D+01 -0.335073D-01  0.347613D+00
      2  -0.343067D+01  0.384924D+01 -0.792518D+01  0.640960D+01 -0.342347D+01
      3  -0.224475D+01  0.551063D+01 -0.111979D+02  0.692976D+01 -0.139577D+01
               116           117           118           119           120 
      1   0.359049D+01 -0.240363D-01 -0.118532D+01 -0.214468D+01 -0.142336D+01
      2   0.462146D+01 -0.632584D+01  0.103038D+02  0.119324D+01  0.674672D+01
      3   0.519457D+01 -0.481107D+01  0.328760D+01 -0.600695D+01  0.155308D+00
               121           122           123           124           125 
      1  -0.153119D+01 -0.468500D+00 -0.187094D+00 -0.827348D+00  0.107888D+01
      2   0.191051D+01 -0.476099D+00  0.954294D+00  0.100734D+01 -0.106428D+00
      3  -0.151558D+01 -0.163718D+01  0.173149D+01 -0.108296D+00  0.124217D+01
               126           127           128           129           130 
      1  -0.298594D+00  0.125835D+00  0.360543D+00 -0.160142D+01  0.145229D+00
      2   0.834552D+00 -0.183419D+01 -0.107379D+01 -0.409359D-02 -0.172851D+01
      3   0.784331D+00  0.654754D+01  0.314386D+01  0.123707D+01  0.702040D+01
               131           132           133           134           135 
      1   0.890650D+00 -0.415572D+01  0.542086D+00  0.229802D+01 -0.669767D+00
      2  -0.225333D+01 -0.820845D-01 -0.213242D+01 -0.715009D+00  0.472904D-01
      3   0.815966D+01  0.249907D+01  0.241694D+01  0.229260D+01  0.517588D+00
               136           137           138           139           140 
      1   0.176732D+00 -0.654701D+00  0.232411D+01  0.284167D+00  0.313919D+00
      2   0.675687D-02  0.100387D+00  0.301776D+01  0.904730D+00 -0.165173D+01
      3   0.153961D+01 -0.510271D+01 -0.314175D+00 -0.314377D+01  0.107625D+02
               141           142           143           144           145 
      1  -0.342166D+01 -0.916865D+00  0.165751D+01 -0.429571D+00 -0.143676D+00
      2  -0.369520D+01 -0.828597D+00  0.384697D+00 -0.609246D+00  0.117531D+01
      3   0.155066D+01 -0.103139D+01  0.255710D+01  0.336576D+00 -0.470677D+00
               146           147           148           149           150 
      1   0.381145D+00 -0.614566D+00  0.218407D-02 -0.222920D-02 -0.424772D+00
      2  -0.817175D-01  0.657756D+01  0.171590D+01  0.357841D+00  0.894120D+00
      3  -0.564711D+01  0.151012D+00 -0.359915D+01 -0.124567D+01 -0.364906D+00
               151           152           153           154           155 
      1   0.391578D+00  0.601401D+00 -0.230477D-01 -0.212457D+00  0.175114D+00
      2  -0.268507D+01 -0.160310D+00  0.460973D+00  0.311278D+00  0.642811D+00
      3  -0.148363D+01 -0.767600D+00 -0.376355D-01 -0.747139D+00 -0.281261D+01
               156           157           158           159           160 
      1  -0.174666D+01 -0.230444D+00  0.554231D+00 -0.451145D+01  0.567200D+00
      2   0.177746D+01  0.566015D+00  0.301949D+01  0.367903D+01 -0.615562D+00
      3  -0.492410D+00 -0.109518D+01 -0.130438D+02 -0.277375D+01 -0.350905D+00
               161           162           163           164           165 
      1   0.202371D+01 -0.713219D+00  0.869539D+00 -0.916918D+00  0.233102D+01
      2   0.260716D+00  0.908173D+00  0.239486D+01 -0.867812D+00  0.485664D+00
      3  -0.347172D+01 -0.747150D+00 -0.103728D+02  0.355714D+01 -0.171266D+00
               166           167           168           169           170 
      1  -0.130706D+00  0.530355D-01 -0.325425D+01 -0.770556D-01  0.196245D+01
      2  -0.100799D+01  0.122908D+01 -0.104865D+01 -0.179450D+01  0.468573D+00
      3   0.715036D+01 -0.467401D+01 -0.111390D+01 -0.120446D+00 -0.123626D+01
               171           172           173           174           175 
      1  -0.323010D+00  0.168026D+00 -0.765192D+00 -0.318971D+01 -0.119744D+00
      2  -0.419524D+00  0.364249D+01  0.111901D+01 -0.596806D+01 -0.296147D-01
      3  -0.156875D+00  0.115224D+01  0.158096D+01 -0.192466D+01  0.704222D+00
               176           177           178           179           180 
      1  -0.399452D+00 -0.329254D+01 -0.217742D+00  0.128936D+01  0.790651D+01
      2   0.947092D+00 -0.584141D+01 -0.400306D+01 -0.564668D+01  0.185208D+02
      3   0.272175D+01 -0.719881D+00 -0.182231D+01 -0.306115D+01  0.729107D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.813053D+01 -0.208263D+02 -0.310319D+01  0.205832D+02  0.116339D+02
      2  -0.757181D+01  0.136587D+02  0.767060D+00 -0.179604D+02 -0.142932D+02
      3  -0.558716D+00  0.716760D+01  0.233613D+01 -0.262277D+01  0.265935D+01
      4  -0.148971D+02 -0.572602D+01 -0.351839D+01  0.108003D+02 -0.207599D+01
      5  -0.624331D+01 -0.159162D+01 -0.266044D+01 -0.238199D-02 -0.760741D+01
      6  -0.469654D+01 -0.116472D+01  0.408006D+01 -0.576989D+01 -0.117328D+02
                 6             7             8             9            10 
      1   0.396041D+01  0.494617D+01  0.110306D+01 -0.579384D+01  0.163784D+00
      2  -0.725739D+01 -0.839277D+01 -0.949591D+01 -0.533346D+01 -0.719793D+00
      3   0.329698D+01  0.344660D+01  0.839285D+01  0.111273D+02  0.556009D+00
      4  -0.721268D+01 -0.319414D+01 -0.104235D+02  0.130262D+02  0.100947D+02
      5   0.969873D+01  0.125646D+02  0.132135D+02  0.990053D+01  0.358658D+01
      6   0.444025D+01  0.518169D+01  0.131096D+02  0.319628D+01  0.232225D+01
                11            12            13            14            15 
      1   0.165782D+02  0.467090D+01 -0.417645D+01  0.101459D+01  0.467686D+01
      2  -0.119413D+02  0.612499D+00  0.114115D+02 -0.355309D+01 -0.324149D+01
      3  -0.463688D+01 -0.528340D+01 -0.723500D+01  0.253850D+01 -0.143537D+01
      4  -0.103504D+02 -0.624076D+00  0.336410D+01  0.133078D+02  0.290147D+01
      5  -0.166108D+01 -0.210467D+01  0.369250D+01  0.267963D+01  0.460098D-01
      6  -0.989297D+00 -0.607691D+01  0.832882D+01 -0.544518D+01  0.455998D+01
                16            17            18            19            20 
      1  -0.171907D+01  0.517013D+01 -0.135541D+02 -0.195260D+02 -0.268969D+01
      2   0.747071D+01 -0.724549D+01  0.139379D+01  0.512342D+01  0.249788D+01
      3  -0.575164D+01  0.207536D+01  0.121603D+02  0.144026D+02  0.191810D+00
      4   0.263171D+01  0.112861D+01  0.356730D+01  0.553334D+01  0.809562D+00
      5   0.317221D+01  0.239209D+01 -0.149706D+00 -0.849095D+01 -0.121865D+01
      6  -0.271995D+01  0.103538D+02  0.109928D+00 -0.389898D+01  0.339538D+00
                21            22            23            24            25 
      1  -0.352437D+01  0.115951D+01 -0.877953D+01 -0.159461D+01 -0.538274D+01
      2  -0.449089D+00 -0.326491D+01  0.143949D+02  0.788301D+01 -0.132907D+01
      3   0.397346D+01  0.210539D+01 -0.561541D+01 -0.628840D+01  0.671181D+01
      4  -0.645952D+00 -0.816139D+01 -0.203778D+01  0.138559D+01 -0.589182D+01
      5  -0.306015D+00 -0.612815D+01  0.142549D+01 -0.482220D+00  0.597713D+01
      6   0.137435D+01 -0.285098D+01  0.607862D+01 -0.839114D+00  0.180026D+00
                26            27            28            29            30 
      1  -0.233022D+01 -0.802218D+01  0.127934D+02 -0.106531D+02 -0.301605D+00
      2   0.442669D+01 -0.289987D+01 -0.836747D+01  0.788781D+01 -0.149235D+01
      3  -0.209647D+01  0.109220D+02 -0.442591D+01  0.276524D+01  0.179396D+01
      4   0.237984D+01  0.152070D+01 -0.714291D+01 -0.175297D+02 -0.389651D+01
      5   0.112221D+01 -0.779488D+00  0.189761D+01 -0.267891D+01 -0.476439D+01
      6   0.718896D+01 -0.333513D+01 -0.183390D+01 -0.183257D+01  0.456151D+01
                31            32            33            34            35 
      1   0.655373D+00  0.806166D+01  0.543733D+01  0.258930D+01  0.419642D+01
      2  -0.836360D+01 -0.107689D+02 -0.787362D+01 -0.475593D+01 -0.113345D+02
      3   0.770823D+01  0.270726D+01  0.243629D+01  0.216663D+01  0.713807D+01
      4   0.105325D+02 -0.130518D+02 -0.232503D+01 -0.932956D+00 -0.288029D+01
      5  -0.645886D+00 -0.266580D+01 -0.898078D+00  0.329511D+01 -0.564750D+01
      6  -0.589854D+01 -0.106720D+02  0.275064D+01  0.145808D+01  0.118012D+02
                36            37            38            39            40 
      1  -0.151631D+02 -0.197504D+01  0.228669D+02  0.617372D+01 -0.266163D+02
      2  -0.690437D+00 -0.169981D+01 -0.144811D+02  0.199361D+00  0.249917D+02
      3   0.158536D+02  0.367485D+01 -0.838575D+01 -0.637308D+01  0.162454D+01
      4  -0.691178D+01  0.159787D+02  0.332140D+01  0.243166D+01  0.237938D+01
      5  -0.446179D+01  0.258939D+00  0.528346D+00  0.523860D+01 -0.593356D+01
      6   0.422601D+01  0.537638D+00 -0.153793D+01 -0.684811D+01  0.827497D+01
                41            42            43            44            45 
      1   0.431283D+01  0.108850D+01 -0.890582D+01  0.416530D+01  0.209555D+01
      2  -0.712472D+01 -0.138442D+01  0.112052D+02 -0.850145D+01 -0.859403D+01
      3   0.281189D+01  0.295914D+00 -0.229940D+01  0.433615D+01  0.649847D+01
      4   0.906915D+01  0.106497D+02 -0.197372D+01  0.979126D+01 -0.135210D+02
      5   0.897021D+01 -0.109764D+02  0.191222D+02 -0.137740D+02 -0.103395D+02
      6  -0.727281D+01  0.406977D+01 -0.584409D+01  0.112755D+02 -0.355210D+00
                46            47            48            49            50 
      1  -0.114789D+02 -0.350916D+01 -0.530719D+01  0.953077D+01 -0.199559D+02
      2   0.732656D+01  0.266305D+01  0.193523D+01 -0.803176D+01  0.175552D+02
      3   0.415238D+01  0.846114D+00  0.337196D+01 -0.149900D+01  0.240068D+01
      4  -0.203665D+01  0.224921D+02  0.569705D+00 -0.187284D+02 -0.374315D+01
      5  -0.397139D+01  0.261446D+00  0.183707D+02 -0.140532D+02 -0.124351D+01
      6   0.895392D+00  0.224723D+00  0.233578D+01 -0.330961D+01  0.469979D+01
                51            52            53            54            55 
      1  -0.867129D+01 -0.321079D+01 -0.916326D+01  0.132467D+02  0.112371D+02
      2   0.113282D+02 -0.852186D+00  0.650680D+01 -0.158979D+02 -0.282889D+01
      3  -0.265690D+01  0.406298D+01  0.265646D+01  0.265118D+01 -0.840818D+01
      4  -0.410090D+01 -0.145945D+02 -0.168639D+01  0.177113D+01  0.138203D+01
      5   0.153858D+01  0.346889D+02  0.289987D+01  0.553653D+01  0.551532D+01
      6  -0.335997D+01  0.123579D+01  0.678353D+01 -0.453888D+01  0.225511D+01
                56            57            58            59            60 
      1   0.184119D+00 -0.220755D+01  0.114641D+02  0.705868D+01  0.792167D+01
      2   0.374137D+01 -0.673948D+00 -0.795541D+01 -0.132547D+02 -0.175175D+02
      3  -0.392549D+01  0.288150D+01 -0.350864D+01  0.619599D+01  0.959588D+01
      4  -0.107690D+02  0.269064D+01 -0.112260D+02 -0.229395D+02 -0.166815D+02
      5   0.277413D+01 -0.147571D+02  0.173768D+02 -0.141235D+02  0.106583D-02
      6  -0.676807D+00 -0.512733D+00 -0.516281D+01 -0.125107D+02 -0.582365D+01
                61            62            63            64            65 
      1   0.485106D+01  0.671865D+01 -0.503754D+01 -0.352155D+02  0.687065D+00
      2  -0.106745D+02 -0.278439D+01  0.633439D+01  0.239193D+02 -0.590111D+01
      3   0.582342D+01 -0.393426D+01 -0.129685D+01  0.112962D+02  0.521404D+01
      4   0.144355D+02 -0.200184D+02 -0.128957D+02 -0.163104D+01  0.137761D+02
      5  -0.273591D+02 -0.124852D+02  0.706766D+01 -0.163233D+02 -0.345266D+00
      6  -0.744626D+01 -0.995377D+01  0.275617D+01 -0.988283D+00  0.138120D+01
                66            67            68            69            70 
      1  -0.101512D+02 -0.103746D+02 -0.429772D+01 -0.282266D+01 -0.885664D+01
      2   0.653220D+00  0.222202D+01  0.142911D+02 -0.208252D+01  0.207606D+01
      3   0.949799D+01  0.815255D+01 -0.999334D+01  0.490518D+01  0.678057D+01
      4   0.179460D+01  0.165790D+02 -0.789157D+01  0.108414D+02 -0.826494D+00
      5   0.123580D+02 -0.944905D+01  0.956331D+01  0.112642D+01  0.113349D+02
      6  -0.338083D+01  0.564948D+01 -0.416442D+01  0.645505D+01 -0.141423D+01
                71            72            73            74            75 
      1   0.644151D+00  0.154757D+02 -0.546743D+02 -0.158063D+02  0.990676D+01
      2  -0.956660D+01 -0.150813D+00  0.220211D+02  0.957457D+01 -0.135532D+01
      3   0.892245D+01 -0.153249D+02  0.326532D+02  0.623176D+01 -0.855144D+01
      4   0.389444D+01  0.232625D+01 -0.207641D+02  0.810661D+01 -0.285439D+01
      5   0.478688D+01 -0.154469D+02  0.139051D+02 -0.181556D+00  0.123918D+02
      6   0.465995D+01  0.860535D+01  0.405968D+01 -0.685170D+01  0.401031D+01
                76            77            78            79            80 
      1  -0.169505D+02  0.188019D+02 -0.442978D+01  0.825826D+00 -0.589962D+01
      2   0.914002D+01 -0.504923D+01  0.131737D+02  0.837723D+01  0.114539D+02
      3   0.781044D+01 -0.137527D+02 -0.874394D+01 -0.920305D+01 -0.555425D+01
      4   0.717822D+01  0.278577D+01  0.178177D+02 -0.885177D+01  0.132501D+02
      5  -0.382217D+01  0.132628D+02  0.799780D+01  0.234895D+02  0.108283D+02
      6  -0.376790D+01  0.364259D+01 -0.126377D+02  0.819626D+01 -0.788426D+01
                81            82            83            84            85 
      1   0.115322D+02  0.729644D+02 -0.261993D+01  0.103956D+02  0.404370D+01
      2  -0.118896D+02 -0.432920D+02  0.874170D+00 -0.980673D+01 -0.106721D+01
      3   0.357449D+00 -0.296724D+02  0.174576D+01 -0.588849D+00 -0.297649D+01
      4   0.111651D+02 -0.138019D+02  0.772544D+01 -0.377757D+01  0.495145D+01
      5  -0.118216D+02  0.299422D+02 -0.292060D+01  0.155306D+02 -0.137831D+01
      6  -0.536783D+01 -0.236971D+01  0.213388D+01 -0.260671D+01  0.180958D+01
                86            87            88            89            90 
      1   0.178373D+01 -0.222329D+01  0.301707D+01 -0.146892D+01  0.317385D+01
      2   0.703450D+00  0.172871D+01 -0.219875D+01  0.115208D+01 -0.342394D+01
      3  -0.248718D+01  0.494586D+00 -0.818326D+00  0.316837D+00  0.250091D+00
      4  -0.171185D+01  0.135408D+00 -0.260160D+01 -0.147243D+00 -0.130773D+01
      5  -0.586064D-01 -0.644549D+00  0.879471D+01 -0.152284D+01  0.460346D+01
      6  -0.191836D+00  0.127593D+01 -0.140799D+01  0.110888D+01 -0.865261D+00
                91            92            93            94            95 
      1   0.116668D+01  0.225742D+01  0.192084D+01  0.744886D+00 -0.138159D+02
      2   0.180980D+01 -0.723785D-01  0.579585D-01  0.208141D+01  0.220791D+02
      3  -0.297649D+01 -0.218504D+01 -0.197880D+01 -0.282629D+01 -0.826323D+01
      4   0.696311D+01  0.116588D+02  0.281549D+01  0.107231D+02  0.296376D+02
      5   0.263219D+01  0.275971D+01  0.706610D+01  0.247589D+01  0.746764D+01
      6   0.399389D+01  0.184652D+01  0.979601D+00  0.275120D+01  0.161872D+02
                96            97            98            99           100 
      1  -0.529242D+01  0.634163D+00 -0.695106D+01 -0.544571D+01  0.384813D+01
      2   0.749909D+01  0.112983D+01  0.552996D+01  0.182572D+01 -0.239073D+01
      3  -0.220667D+01 -0.176399D+01  0.142110D+01  0.361999D+01 -0.145740D+01
      4   0.850869D+01  0.254524D+01  0.137732D+02  0.863751D+01 -0.606191D+00
      5   0.824541D+01  0.760816D+01  0.775286D+01  0.688671D+01 -0.227830D+01
      6   0.103523D+02  0.296162D+01  0.128309D+02  0.898557D+01  0.185212D+01
               101           102           103           104           105 
      1  -0.140604D+01 -0.523216D+01 -0.563107D+01 -0.750352D+01 -0.596716D+01
      2   0.611217D+00  0.292504D+00  0.404199D+01  0.611717D-02 -0.671135D+01
      3   0.794821D+00  0.493965D+01  0.158907D+01  0.749740D+01  0.126785D+02
      4  -0.362615D+00  0.413642D+00  0.202945D+01 -0.158622D+02 -0.107226D+02
      5   0.161720D+01 -0.147190D+00  0.788464D+01 -0.892724D+01 -0.154574D+02
      6   0.164592D+01  0.315827D-01 -0.391205D+00  0.116189D+02  0.981439D+01
               106           107           108           109           110 
      1  -0.416865D+01 -0.387978D+01 -0.105289D+02 -0.110670D+01  0.933824D+01
      2   0.282933D+01 -0.508504D+01 -0.709054D+01  0.175775D+01 -0.651423D+01
      3   0.133932D+01  0.896482D+01  0.176195D+02 -0.651049D+00 -0.282401D+01
      4   0.833859D+00 -0.953197D+01 -0.791159D+01  0.164254D+01 -0.269637D+01
      5   0.472161D+01 -0.669736D+01 -0.141024D+02  0.490258D+00 -0.166653D+00
      6  -0.672284D+00  0.916307D+01  0.720008D+01 -0.332301D+01  0.638591D+01
               111           112           113           114           115 
      1  -0.802706D+01  0.965626D+01 -0.194882D+02  0.124533D+02 -0.416806D+01
      2   0.184907D+01 -0.546666D+01  0.169702D+02 -0.514141D+01  0.919981D+00
      3   0.617798D+01 -0.418960D+01  0.251809D+01 -0.731190D+01  0.324808D+01
      4   0.152028D+01  0.284665D+01  0.159585D+02 -0.101155D+02  0.127271D-02
      5  -0.272535D+01 -0.460664D+01 -0.754719D+01  0.804712D+01  0.240276D+01
      6  -0.538425D+01  0.184777D+01 -0.179760D+02  0.146885D+02 -0.217526D+01
               116           117           118           119           120 
      1   0.969767D+01 -0.133347D+02  0.817716D+02  0.101998D+02 -0.575012D+01
      2  -0.373008D+01  0.129325D+01 -0.408603D+02 -0.312579D+01  0.686100D+01
      3  -0.596759D+01  0.120415D+02 -0.409113D+02 -0.707396D+01 -0.111088D+01
      4  -0.721574D+01  0.510583D+01  0.246782D+02  0.147388D+02 -0.343162D+01
      5   0.441801D+01 -0.684935D+01 -0.291183D+02 -0.497152D+01  0.157298D+02
      6   0.125833D+02 -0.110572D+02 -0.498178D+01 -0.379137D+01  0.302297D+01
               121           122           123           124           125 
      1   0.954913D+01  0.527907D+01  0.408051D+00  0.443830D+01  0.826517D+00
      2  -0.277030D+01 -0.139793D+01 -0.431623D+00  0.350970D+00 -0.264119D+00
      3  -0.677883D+01 -0.388114D+01  0.235725D-01 -0.478927D+01 -0.562398D+00
      4   0.144691D+02  0.689367D+01 -0.331132D+01  0.156426D+01 -0.327171D+00
      5  -0.363086D+01 -0.426508D+01  0.199617D+01  0.846722D+01  0.623216D+00
      6  -0.264368D+01 -0.195308D+01  0.331400D+01  0.174856D+01  0.215550D+01
               126           127           128           129           130 
      1   0.462110D+01 -0.502906D+01 -0.858019D+01 -0.295466D+01 -0.747965D+01
      2  -0.341831D+01  0.606098D+01  0.100490D+02  0.202608D+01  0.876577D+01
      3  -0.120280D+01 -0.103192D+01 -0.146882D+01  0.928575D+00 -0.128611D+01
      4   0.129199D+01  0.354931D+01  0.679637D+01  0.143719D+01  0.533435D+01
      5  -0.133715D+01  0.118311D+01  0.126808D+01  0.166681D+01  0.113645D+01
      6  -0.617411D-01  0.248411D+01  0.391235D+01  0.277479D+01  0.305415D+01
               131           132           133           134           135 
      1  -0.312683D+02 -0.879674D+01 -0.231239D+01 -0.857734D+01 -0.366886D+01
      2   0.399994D+02  0.766271D+01  0.259232D+01  0.100507D+02  0.365213D+01
      3  -0.873101D+01  0.113403D+01 -0.279934D+00 -0.147338D+01  0.167317D-01
      4  -0.918265D+00 -0.643932D+00  0.152907D+01 -0.172424D+00  0.121159D+01
      5  -0.661792D+00 -0.162058D+00  0.109365D+01  0.421998D+00  0.614998D+00
      6   0.132878D+02  0.952219D+01  0.103657D+01  0.536188D+01  0.392540D+01
               136           137           138           139           140 
      1   0.216570D+02 -0.129778D+02 -0.267881D+01 -0.927302D+01  0.279092D+01
      2  -0.408952D+01 -0.136804D+01  0.961118D+00 -0.568219D+01  0.165209D+02
      3  -0.175674D+02  0.143459D+02  0.171769D+01  0.149552D+02 -0.193118D+02
      4  -0.324211D+02  0.299035D+02  0.465627D+01  0.330068D+02 -0.427144D+02
      5  -0.680211D+01  0.482654D+01  0.676465D+01  0.713327D+01 -0.826497D+01
      6   0.258242D+01 -0.228908D+01 -0.341097D+01 -0.446302D+01  0.623177D+01
               141           142           143           144           145 
      1   0.687540D+00 -0.120539D+01 -0.868803D-01 -0.373775D-01  0.984223D+02
      2   0.867068D+00 -0.123772D+01  0.317085D+01  0.905043D+00 -0.552558D+02
      3  -0.155461D+01  0.244311D+01 -0.308397D+01 -0.867666D+00 -0.431665D+02
      4  -0.779240D+01  0.633771D+01 -0.815500D+01 -0.322686D+01  0.128074D+02
      5  -0.678386D+01  0.287932D+01 -0.268463D+01 -0.187436D+01  0.942490D+01
      6   0.644918D+01 -0.192345D+01  0.283863D+01  0.215871D+01 -0.222671D+01
               146           147           148           149           150 
      1   0.817253D+01  0.616977D+01  0.678963D+01  0.926470D+01  0.199878D+01
      2  -0.395131D+01 -0.425089D+01 -0.297033D+01 -0.414135D+01 -0.167795D+01
      3  -0.422122D+01 -0.191888D+01 -0.381930D+01 -0.512336D+01 -0.320830D+00
      4   0.102568D+02  0.560630D+00  0.152492D+02  0.406031D+01  0.137906D+01
      5   0.520614D+00  0.112374D+02  0.393033D+01  0.150671D+01  0.150597D+01
      6   0.278971D+00  0.575220D+00  0.815910D+00 -0.117877D+00  0.158555D+01
               151           152           153           154           155 
      1   0.746375D+01  0.221039D+01  0.316745D+01  0.568037D+01  0.434962D+01
      2  -0.408290D+01 -0.121879D+01 -0.202769D+01  0.288885D+01  0.501103D+01
      3  -0.338086D+01 -0.991606D+00 -0.113976D+01 -0.856923D+01 -0.936065D+01
      4   0.420745D+01  0.159604D+01  0.788954D+00  0.184774D+02  0.228634D+02
      5   0.291792D+01  0.511275D+00  0.142397D+01  0.476312D+01  0.530979D+01
      6   0.135443D+00  0.641108D+00  0.510330D+00  0.355977D+01  0.410753D+01
               156           157           158           159           160 
      1   0.102079D+01 -0.353013D+00 -0.154305D+02 -0.388830D+01  0.281132D+00
      2   0.280956D+00  0.104777D+02  0.355908D+02  0.546185D+01  0.205537D+01
      3  -0.130175D+01 -0.101247D+02 -0.201602D+02 -0.157354D+01 -0.233650D+01
      4   0.544375D+01  0.241871D+02  0.450124D+02  0.103306D+02  0.658852D+01
      5   0.523243D+01  0.585317D+01  0.998729D+01  0.708945D+01  0.271177D+01
      6   0.314923D+01  0.567955D+01  0.135091D+02  0.983013D+01  0.245243D+01
               161           162           163           164           165 
      1  -0.334249D+01 -0.197113D+01 -0.416448D+01  0.684286D+01  0.124975D+01
      2   0.764804D+01  0.276489D+01  0.542872D+01 -0.944613D+01 -0.100497D+01
      3  -0.430555D+01 -0.793762D+00 -0.126425D+01  0.260327D+01 -0.244776D+00
      4   0.120233D+02  0.423654D+01 -0.824921D+01  0.679005D+01  0.721868D+00
      5   0.350137D+01  0.272766D+01 -0.187350D+00  0.790677D+00  0.144162D+01
      6   0.534214D+01  0.386173D+01  0.673183D+00 -0.176163D+01 -0.251429D+01
               166           167           168           169           170 
      1   0.773802D+01 -0.197462D+02 -0.377411D+01  0.145215D+01 -0.370172D+01
      2  -0.998218D+01  0.262211D+02  0.303983D+01 -0.192214D+01  0.438261D+01
      3   0.224416D+01 -0.647482D+01  0.734277D+00  0.469986D+00 -0.680891D+00
      4   0.747280D+01 -0.775565D+01 -0.102985D+01  0.117151D+01 -0.134007D+01
      5   0.972546D+00 -0.121240D+01 -0.144969D+01  0.109276D+01 -0.696671D+00
      6  -0.251381D+01  0.506331D+01  0.543147D+01 -0.109177D+01  0.249520D+01
               171           172           173           174           175 
      1  -0.113062D+01 -0.305680D+01 -0.219729D+01  0.943533D+01 -0.116542D+01
      2   0.158443D+01 -0.646130D-01  0.127160D+00  0.168448D+01  0.593718D+00
      3  -0.453811D+00  0.312141D+01  0.207013D+01 -0.111198D+02  0.571706D+00
      4  -0.198430D+01  0.601563D+00 -0.216967D+01 -0.373713D+00  0.321868D+01
      5  -0.124644D+01  0.109488D+01  0.101282D+01 -0.574123D+01 -0.805391D+00
      6   0.169899D+01 -0.896657D+00 -0.136146D+01  0.383941D+01 -0.160845D+00
               176           177           178           179           180 
      1  -0.280606D+01  0.487224D+01  0.857786D+01  0.671331D+01 -0.228391D+02
      2   0.143103D+01  0.258650D+01 -0.441385D+01  0.949081D+00 -0.115518D+02
      3   0.137503D+01 -0.745873D+01 -0.416401D+01 -0.766239D+01  0.343909D+02
      4  -0.586481D+01  0.126519D+01 -0.297909D+01  0.406137D+01 -0.689007D+01
      5   0.171443D+01 -0.104385D+02  0.723093D+01 -0.880522D+01  0.309263D+02
      6  -0.234892D+01  0.794320D+01  0.266968D+00  0.777988D+01 -0.157198D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:47:38 2021, MaxMem=  5637144576 cpu:           11183.5 elap:            1401.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.12522 -10.06750 -10.04171 -10.03632 -10.03508
 Alpha  occ. eigenvalues --  -10.03487 -10.03448 -10.03030 -10.02245  -0.98449
 Alpha  occ. eigenvalues --   -0.94268  -0.85606  -0.83552  -0.81146  -0.72163
 Alpha  occ. eigenvalues --   -0.69784  -0.66204  -0.60997  -0.57841  -0.57523
 Alpha  occ. eigenvalues --   -0.54123  -0.52166  -0.52035  -0.50319  -0.47885
 Alpha  occ. eigenvalues --   -0.46422  -0.45568  -0.45176  -0.42039  -0.41339
 Alpha  occ. eigenvalues --   -0.34426  -0.34230  -0.32627
 Alpha virt. eigenvalues --    0.02876   0.03580   0.04047   0.04668   0.05195
 Alpha virt. eigenvalues --    0.05269   0.05467   0.05715   0.06520   0.07338
 Alpha virt. eigenvalues --    0.07749   0.08164   0.08279   0.11067   0.12027
 Alpha virt. eigenvalues --    0.12301   0.13069   0.13537   0.13689   0.14382
 Alpha virt. eigenvalues --    0.14700   0.14774   0.15261   0.15409   0.15769
 Alpha virt. eigenvalues --    0.16204   0.16890   0.17599   0.17696   0.18057
 Alpha virt. eigenvalues --    0.18646   0.18911   0.19516   0.19696   0.20679
 Alpha virt. eigenvalues --    0.21293   0.21520   0.22463   0.23115   0.24360
 Alpha virt. eigenvalues --    0.24920   0.25335   0.25753   0.26739   0.27387
 Alpha virt. eigenvalues --    0.27846   0.28349   0.29442   0.29908   0.30267
 Alpha virt. eigenvalues --    0.30624   0.31527   0.32037   0.32272   0.32532
 Alpha virt. eigenvalues --    0.33110   0.34100   0.34950   0.35268   0.35577
 Alpha virt. eigenvalues --    0.36353   0.37637   0.38228   0.38776   0.39170
 Alpha virt. eigenvalues --    0.39441   0.40161   0.40531   0.41404   0.41956
 Alpha virt. eigenvalues --    0.43110   0.44399   0.45173   0.45991   0.46213
 Alpha virt. eigenvalues --    0.47081   0.48367   0.48966   0.49657   0.50342
 Alpha virt. eigenvalues --    0.50743   0.51127   0.51954   0.52138   0.52911
 Alpha virt. eigenvalues --    0.54580   0.55218   0.55726   0.55854   0.56928
 Alpha virt. eigenvalues --    0.57255   0.57623   0.58579   0.59192   0.59613
 Alpha virt. eigenvalues --    0.61530   0.62058   0.62555   0.63029   0.63235
 Alpha virt. eigenvalues --    0.63750   0.64538   0.65527   0.66072   0.66497
 Alpha virt. eigenvalues --    0.66573   0.67930   0.68741   0.69236   0.70322
 Alpha virt. eigenvalues --    0.71106   0.71446   0.71966   0.72845   0.73157
 Alpha virt. eigenvalues --    0.73554   0.74425   0.74745   0.74942   0.76186
 Alpha virt. eigenvalues --    0.77560   0.77728   0.78927   0.80021   0.81670
 Alpha virt. eigenvalues --    0.81759   0.83085   0.84119   0.84650   0.85447
 Alpha virt. eigenvalues --    0.85719   0.86773   0.86904   0.87402   0.88180
 Alpha virt. eigenvalues --    0.89223   0.90300   0.91230   0.92253   0.93103
 Alpha virt. eigenvalues --    0.94986   0.95213   0.96109   0.97680   1.00847
 Alpha virt. eigenvalues --    1.01732   1.02366   1.03434   1.04495   1.06243
 Alpha virt. eigenvalues --    1.06803   1.07253   1.08951   1.10888   1.13735
 Alpha virt. eigenvalues --    1.15578   1.17070   1.18418   1.20571   1.23960
 Alpha virt. eigenvalues --    1.25851   1.26952   1.34283   1.37637   1.37740
 Alpha virt. eigenvalues --    1.39192   1.40673   1.41414   1.42697   1.43499
 Alpha virt. eigenvalues --    1.45362   1.45982   1.46662   1.48589   1.50303
 Alpha virt. eigenvalues --    1.50386   1.51597   1.52522   1.54491   1.55914
 Alpha virt. eigenvalues --    1.56115   1.57682   1.58736   1.59349   1.60840
 Alpha virt. eigenvalues --    1.62820   1.63874   1.66395   1.67209   1.69873
 Alpha virt. eigenvalues --    1.70907   1.72196   1.73357   1.74481   1.76884
 Alpha virt. eigenvalues --    1.77716   1.78076   1.78892   1.80587   1.81142
 Alpha virt. eigenvalues --    1.82881   1.84182   1.85093   1.86996   1.89027
 Alpha virt. eigenvalues --    1.89820   1.91336   1.93169   1.93914   1.94223
 Alpha virt. eigenvalues --    1.95703   1.96936   1.98494   2.00335   2.02439
 Alpha virt. eigenvalues --    2.03491   2.04778   2.05747   2.08415   2.09385
 Alpha virt. eigenvalues --    2.10044   2.12177   2.13564   2.14690   2.14872
 Alpha virt. eigenvalues --    2.17395   2.17973   2.19686   2.21828   2.22809
 Alpha virt. eigenvalues --    2.24449   2.26612   2.28027   2.30671   2.31715
 Alpha virt. eigenvalues --    2.32889   2.37019   2.37162   2.39953   2.40525
 Alpha virt. eigenvalues --    2.43563   2.44249   2.49370   2.51830   2.54669
 Alpha virt. eigenvalues --    2.56524   2.58559   2.60177   2.61669   2.63106
 Alpha virt. eigenvalues --    2.63641   2.68987   2.69748   2.74784   2.75710
 Alpha virt. eigenvalues --    2.80938   2.82064   2.84067   2.88030   2.94395
 Alpha virt. eigenvalues --    2.95109   2.99899   3.05509   3.10084   3.10851
 Alpha virt. eigenvalues --    3.14568   3.15205   3.25903   3.45710   3.49966
 Alpha virt. eigenvalues --    3.62034   3.63928   4.58895
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   14.276820  -6.170564   4.135704  -5.571635   4.914724  -5.042585
     2  C   -6.170564  20.739869  -8.364402   2.049812  -4.806698   4.164600
     3  C    4.135704  -8.364402  20.203544 -10.059799   3.763512  -4.981259
     4  C   -5.571635   2.049812 -10.059799  23.458145  -6.352286   4.812050
     5  C    4.914724  -4.806698   3.763512  -6.352286  13.988367  -5.117859
     6  C   -5.042585   4.164600  -4.981259   4.812050  -5.117859  12.120356
     7  C   -0.506660  -0.553680  -2.175838  -0.965418  -0.133880   0.253391
     8  N   -0.058833   0.162889   0.355170  -0.071243  -0.093917   0.022613
     9  C    0.257186  -0.670012   0.342062  -0.480399   0.217735  -0.178287
    10  H   -0.004001  -0.041604   0.060027   0.020715   0.000510   0.002170
    11  H   -0.014134  -0.025632   0.315444  -0.073794  -0.051133   0.019506
    12  H   -0.016175  -0.070270  -0.182760   0.111046   0.002081   0.002753
    13  H   -0.016162   0.051813  -0.182132   0.016471  -0.030986   0.008529
    14  H    0.031096  -0.031748   0.479176  -0.140727   0.018776  -0.013669
    15  H    0.184018  -0.216292   0.928466  -2.257950   0.621196  -0.292532
    16  H   -0.394412   0.243634  -0.411398   1.017597  -1.588658   0.668051
    17  H    0.704563  -0.220729   0.182630  -0.290534   0.662794  -1.425233
    18  H   -1.668568   1.197764  -0.429785   0.251147  -0.423562   0.588067
    19  H    0.777224  -2.158922   0.616129  -0.357272   0.178456  -0.225287
    20  H    0.018587  -0.027728  -0.035378  -0.005066   0.022469  -0.012148
               7          8          9         10         11         12
     1  C   -0.506660  -0.058833   0.257186  -0.004001  -0.014134  -0.016175
     2  C   -0.553680   0.162889  -0.670012  -0.041604  -0.025632  -0.070270
     3  C   -2.175838   0.355170   0.342062   0.060027   0.315444  -0.182760
     4  C   -0.965418  -0.071243  -0.480399   0.020715  -0.073794   0.111046
     5  C   -0.133880  -0.093917   0.217735   0.000510  -0.051133   0.002081
     6  C    0.253391   0.022613  -0.178287   0.002170   0.019506   0.002753
     7  C   11.311457  -0.927276   0.236512  -0.047781  -1.001684  -0.005785
     8  N   -0.927276   7.084285   0.020364   0.227417   0.110851  -0.052924
     9  C    0.236512   0.020364   4.565268  -0.053609   0.175694   0.379715
    10  H   -0.047781   0.227417  -0.053609   1.017428  -0.006322  -0.015017
    11  H   -1.001684   0.110851   0.175694  -0.006322   2.191858   0.099653
    12  H   -0.005785  -0.052924   0.379715  -0.015017   0.099653   1.562639
    13  H    0.178866   0.055606   0.146089   0.016299  -0.077270  -0.298826
    14  H   -0.267845   0.013582   0.122312  -0.019184  -0.003414  -0.355586
    15  H    0.181460  -0.003410   0.058074  -0.005178  -0.109553   0.013161
    16  H    0.020124  -0.001244  -0.001784   0.000135   0.002519  -0.000555
    17  H   -0.017082   0.001236   0.000049   0.000004   0.000007   0.000305
    18  H    0.056655  -0.006077  -0.006252   0.000799   0.001931   0.000796
    19  H    0.123242  -0.124501   0.082882   0.013407   0.016764  -0.042646
    20  H    0.125525   0.235061  -0.023702  -0.124192  -0.067402   0.009725
              13         14         15         16         17         18
     1  C   -0.016162   0.031096   0.184018  -0.394412   0.704563  -1.668568
     2  C    0.051813  -0.031748  -0.216292   0.243634  -0.220729   1.197764
     3  C   -0.182132   0.479176   0.928466  -0.411398   0.182630  -0.429785
     4  C    0.016471  -0.140727  -2.257950   1.017597  -0.290534   0.251147
     5  C   -0.030986   0.018776   0.621196  -1.588658   0.662794  -0.423562
     6  C    0.008529  -0.013669  -0.292532   0.668051  -1.425233   0.588067
     7  C    0.178866  -0.267845   0.181460   0.020124  -0.017082   0.056655
     8  N    0.055606   0.013582  -0.003410  -0.001244   0.001236  -0.006077
     9  C    0.146089   0.122312   0.058074  -0.001784   0.000049  -0.006252
    10  H    0.016299  -0.019184  -0.005178   0.000135   0.000004   0.000799
    11  H   -0.077270  -0.003414  -0.109553   0.002519   0.000007   0.001931
    12  H   -0.298826  -0.355586   0.013161  -0.000555   0.000305   0.000796
    13  H    1.642505  -0.307089  -0.022783  -0.001805   0.000216  -0.002353
    14  H   -0.307089   1.727461  -0.001829   0.001053  -0.000077   0.000700
    15  H   -0.022783  -0.001829   3.110480  -0.202702  -0.025950   0.017758
    16  H   -0.001805   0.001053  -0.202702   2.469181  -0.142016  -0.029778
    17  H    0.000216  -0.000077  -0.025950  -0.142016   2.398562  -0.149875
    18  H   -0.002353   0.000700   0.017758  -0.029778  -0.149875   2.504011
    19  H    0.018986   0.002891  -0.056241   0.017630  -0.023910  -0.221763
    20  H   -0.008980   0.007817   0.005603   0.000669   0.000149  -0.001632
              19         20
     1  C    0.777224   0.018587
     2  C   -2.158922  -0.027728
     3  C    0.616129  -0.035378
     4  C   -0.357272  -0.005066
     5  C    0.178456   0.022469
     6  C   -0.225287  -0.012148
     7  C    0.123242   0.125525
     8  N   -0.124501   0.235061
     9  C    0.082882  -0.023702
    10  H    0.013407  -0.124192
    11  H    0.016764  -0.067402
    12  H   -0.042646   0.009725
    13  H    0.018986  -0.008980
    14  H    0.002891   0.007817
    15  H   -0.056241   0.005603
    16  H    0.017630   0.000669
    17  H   -0.023910   0.000149
    18  H   -0.221763  -0.001632
    19  H    3.316421  -0.022152
    20  H   -0.022152   0.959399
 Mulliken charges:
               1
     1  C    0.163807
     2  C    0.747900
     3  C    1.440888
     4  C    0.889142
     5  C    0.208358
     6  C    0.626774
     7  C    0.115696
     8  N    0.050353
     9  C    0.810104
    10  H   -0.042024
    11  H   -0.503889
    12  H   -0.141330
    13  H   -0.186996
    14  H   -0.263695
    15  H   -0.925797
    16  H   -0.666240
    17  H   -0.655107
    18  H   -0.679986
    19  H   -0.931338
    20  H   -0.056623
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.516178
     2  C   -0.183437
     3  C    1.440888
     4  C   -0.036654
     5  C   -0.457882
     6  C   -0.028332
     7  C   -0.388192
     8  N   -0.048294
     9  C    0.218083
 Electronic spatial extent (au):  <R**2>=           1286.8147
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.7018    Y=             -0.8511    Z=             -0.6538  Tot=              1.2823
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.9254   YY=            -54.1449   ZZ=            -56.3118
   XY=              1.7383   XZ=              2.3039   YZ=              0.9024
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              4.2020   YY=             -1.0176   ZZ=             -3.1844
   XY=              1.7383   XZ=              2.3039   YZ=              0.9024
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -10.1402  YYY=             -2.5722  ZZZ=             -6.9223  XYY=              6.6905
  XXY=             -2.3645  XXZ=             -5.4951  XZZ=            -11.7859  YZZ=              3.1160
  YYZ=             -0.4454  XYZ=              4.1896
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1092.5301 YYYY=           -360.4122 ZZZZ=           -197.7091 XXXY=             -3.4130
 XXXZ=             31.2520 YYYX=              6.2235 YYYZ=              9.6138 ZZZX=             15.0274
 ZZZY=             -9.3357 XXYY=           -265.4738 XXZZ=           -242.3018 YYZZ=            -94.7265
 XXYZ=              1.2235 YYXZ=              3.1156 ZZXY=             -6.5784
 N-N= 4.257450469049D+02 E-N=-1.700048894641D+03  KE= 3.633451041686D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:47:39 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.81616381D-01-3.09909963D-01-2.76521489D-01
 Polarizability= 1.26371264D+02 4.02624642D-01 1.00539729D+02
                 1.05229610D+00 5.47513741D+00 7.12755021D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6394   -0.6396        0.0790    0.0791
 2      0.6394    0.6396       -2.9666   -2.9668      -13.2876  -13.2857
 3     -0.0790   -0.0791       28.1926   28.1921        2.9646    2.9668
 4      2.9666    2.9668       -0.0000    0.0000       -0.0796   -0.0791
 5    -14.9050  -14.9065        0.0796    0.0791       -0.6396   -0.6396
 6     -2.9646   -2.9668        0.6396    0.6396       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.9187    1.9187        0.2372    0.2372
 2      8.9003    8.9003       -0.0000    0.0000        0.2372    0.2372
 3      8.9003    8.9003        1.9187    1.9187        0.0000    0.0000
 4      1.9187    1.9187       -8.9003   -8.9003      -39.8570  -39.8570
 5     -0.2372   -0.2372       84.5764   84.5764        8.9003    8.9003
 6    -44.7194  -44.7194        0.2372    0.2372       -1.9187   -1.9187
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0301    0.0000        2.4939    2.5583       -0.2805   -0.3163
 2     -2.5611   -2.5583       11.8863   11.8670       53.1703   53.1426
 3      0.2887    0.3163     -112.7685 -112.7685      -11.9037  -11.8670
 4    -11.8590  -11.8670       -0.0136    0.0000        0.3071    0.3163
 5     59.6117   59.6259       -0.3160   -0.3163        2.5610    2.5583
 6     11.8894   11.8670       -2.5833   -2.5583       -0.0064    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0121    0.0000       -3.5956   -3.5983       -5.3850   -5.3952
 2      3.5778    3.5983      -44.2044  -44.2529      -31.9037  -31.8881
 3      5.3571    5.3952      -21.5793  -21.4923       44.2750   44.2529
 4     44.2985   44.2529        0.0241    0.0000        5.3849    5.3952
 5     53.4108   53.3804       -5.4515   -5.3952       -3.5323   -3.5983
 6    -44.2780  -44.2529        3.5547    3.5983        0.0270    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     30.8397   30.8171        1.4347    1.4961       14.3992   14.3782
 2     96.3333   96.2811       -4.4306   -4.4285       14.3958   14.3782
 3     96.3408   96.2811        1.4914    1.4961        9.7031    9.6738
 4      5.8548    5.9246      -65.4408  -65.4641      -37.5813  -37.5698
 5     -4.7341   -4.7044      -44.1975  -44.1928       65.3950   65.4641
 6     81.8058   81.7627        4.6285    4.7044       -5.8562   -5.9246
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.8196   -4.9323   -0.0007   -0.0005   -0.0004    1.7214
 Low frequencies ---   43.8680  127.6567  215.2272
 Diagonal vibrational polarizability:
       18.3534058       8.4396374      12.7888768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.8646               127.6567               215.2272
 Red. masses --      3.2047                 3.1311                 1.9465
 Frc consts  --      0.0036                 0.0301                 0.0531
 IR Inten    --      0.4220                 2.1227                 0.8102
 RamAct Fr= 1--      3.8365                 4.2380                 0.3367
  Dep-P Fr= 1--      0.7497                 0.7463                 0.3520
  Dep-U Fr= 1--      0.8569                 0.8547                 0.5207
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0029
 Beta2  Fr= 1--      0.5480                 0.6037                 0.0292
 AlphaG Fr= 1--      0.0001                 0.0013                -0.0022
 Gamma2 Fr= 1--     -0.5457                -0.0846                -0.0744
 Delta2 Fr= 1--     -0.7433                 0.0569                -0.0902
 Raman1 Fr= 1--      15.346                 16.952                  1.347
 ROA1   Fr= 1--     -76.169                 -6.303                -10.027
 CID1   Fr= 1--      -4.963                 -0.372                 -7.446
 Raman2 Fr= 1--       6.575                  7.245                  0.351
 ROA2   Fr= 1--      -7.149                 -2.487                 -1.064
 CID2   Fr= 1--      -1.087                 -0.343                 -3.036
 Raman3 Fr= 1--      13.151                 14.489                  0.701
 ROA3   Fr= 1--     -76.169                 -6.303                -10.027
 CID3   Fr= 1--      -5.792                 -0.435                -14.299
 RC180  Fr= 1--       0.714                  0.709                  0.041
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.13    -0.02  -0.03   0.08    -0.11   0.01  -0.01
     2   6    -0.02  -0.06   0.16    -0.01   0.02  -0.11    -0.08  -0.08  -0.04
     3   6    -0.00  -0.03   0.04    -0.00   0.04  -0.17    -0.01  -0.11  -0.05
     4   6     0.02   0.02  -0.12    -0.01   0.03  -0.14     0.04  -0.07  -0.03
     5   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.03   0.02   0.01
     6   6    -0.00   0.01  -0.03    -0.03  -0.06   0.19    -0.05   0.06   0.02
     7   6    -0.00  -0.04   0.06    -0.00   0.01  -0.04    -0.01  -0.02  -0.01
     8   7     0.04  -0.13  -0.15    -0.13  -0.04  -0.00     0.11   0.08   0.04
     9   6    -0.03   0.21   0.08     0.22   0.06   0.07     0.05   0.06   0.03
    10   1     0.04  -0.13  -0.19    -0.14  -0.05   0.22     0.10   0.15  -0.05
    11   1    -0.00  -0.13   0.21    -0.05  -0.03   0.03    -0.14   0.00  -0.02
    12   1    -0.03   0.32  -0.06     0.28   0.11  -0.02     0.49  -0.09   0.12
    13   1    -0.06   0.29   0.24     0.35   0.12   0.05    -0.26  -0.19  -0.13
    14   1    -0.03   0.22   0.09     0.22   0.00   0.26    -0.03   0.52   0.14
    15   1     0.03   0.04  -0.21    -0.01   0.04  -0.19     0.10  -0.10  -0.02
    16   1     0.04   0.08  -0.28    -0.03  -0.04   0.10     0.09   0.06   0.04
    17   1    -0.00   0.03  -0.06    -0.04  -0.11   0.37    -0.06   0.11   0.05
    18   1    -0.04  -0.05   0.23    -0.02  -0.05   0.17    -0.17   0.04  -0.00
    19   1    -0.04  -0.09   0.27    -0.00   0.03  -0.15    -0.15  -0.13  -0.06
    20   1     0.09  -0.27  -0.16    -0.33  -0.11  -0.08     0.20   0.14   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    256.6705               283.4791               309.1102
 Red. masses --      1.3623                 1.1682                 3.0174
 Frc consts  --      0.0529                 0.0553                 0.1699
 IR Inten    --     14.6442                21.7654                 2.4705
 RamAct Fr= 1--      0.1197                 1.3447                 0.8623
  Dep-P Fr= 1--      0.7182                 0.4512                 0.1815
  Dep-U Fr= 1--      0.8360                 0.6219                 0.3073
 Alpha2 Fr= 1--      0.0001                 0.0082                 0.0123
 Beta2  Fr= 1--      0.0167                 0.1394                 0.0442
 AlphaG Fr= 1--     -0.0011                -0.0099                 0.0009
 Gamma2 Fr= 1--      0.0021                -0.1400                -0.6924
 Delta2 Fr= 1--      0.0181                -0.0718                -0.1536
 Raman1 Fr= 1--       0.479                  5.379                  3.449
 ROA1   Fr= 1--       0.783                -15.736                -71.390
 CID1   Fr= 1--       1.634                 -2.926                -20.696
 Raman2 Fr= 1--       0.200                  1.672                  0.530
 ROA2   Fr= 1--      -0.094                 -2.786                -15.389
 CID2   Fr= 1--      -0.470                 -1.666                -29.040
 Raman3 Fr= 1--       0.400                  3.345                  1.060
 ROA3   Fr= 1--       0.783                -15.736                -71.390
 CID3   Fr= 1--       1.954                 -4.704                -67.358
 RC180  Fr= 1--       0.672                  0.244                 -0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.00     0.03  -0.00   0.01    -0.04  -0.01   0.05
     2   6    -0.04  -0.05  -0.02     0.03  -0.01   0.01    -0.05  -0.01   0.16
     3   6     0.01  -0.07  -0.02     0.02  -0.00   0.01    -0.02   0.02   0.03
     4   6     0.04  -0.05  -0.00     0.03   0.00   0.01    -0.07  -0.04   0.16
     5   6     0.03   0.01   0.00     0.03   0.01  -0.00    -0.07  -0.02   0.03
     6   6    -0.01   0.03   0.00     0.04   0.01  -0.01    -0.05   0.02  -0.16
     7   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01     0.02   0.04  -0.11
     8   7     0.07   0.07   0.04    -0.05  -0.02  -0.00     0.02   0.03  -0.11
     9   6    -0.02   0.03  -0.02    -0.06   0.02  -0.04     0.22  -0.02  -0.04
    10   1     0.02   0.30   0.39    -0.10   0.17   0.53    -0.01   0.14   0.13
    11   1    -0.07   0.02  -0.03     0.00  -0.00  -0.01     0.02   0.04  -0.11
    12   1    -0.39   0.23  -0.19     0.16  -0.10   0.07     0.35  -0.06  -0.03
    13   1     0.27   0.31   0.20    -0.30  -0.15  -0.12     0.37  -0.02  -0.19
    14   1     0.05  -0.39  -0.06    -0.11   0.31  -0.07     0.21  -0.06   0.19
    15   1     0.07  -0.07  -0.00     0.04  -0.00   0.01    -0.11  -0.04   0.25
    16   1     0.07   0.04   0.00     0.03   0.01  -0.01    -0.07  -0.03   0.03
    17   1    -0.02   0.07   0.00     0.04   0.01  -0.02    -0.04   0.06  -0.37
    18   1    -0.09   0.01   0.00     0.03   0.00   0.01    -0.02  -0.02   0.06
    19   1    -0.07  -0.08  -0.05     0.03  -0.00  -0.01    -0.06  -0.04   0.24
    20   1    -0.21  -0.12  -0.09    -0.49  -0.30  -0.21    -0.18  -0.14  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    368.5042               416.7400               483.8809
 Red. masses --      2.8724                 2.9574                 3.1929
 Frc consts  --      0.2298                 0.3026                 0.4405
 IR Inten    --     10.5867                 0.0593                 3.4040
 RamAct Fr= 1--      1.1412                 0.0116                 3.0188
  Dep-P Fr= 1--      0.3038                 0.6131                 0.0852
  Dep-U Fr= 1--      0.4660                 0.7601                 0.1569
 Alpha2 Fr= 1--      0.0116                 0.0000                 0.0548
 Beta2  Fr= 1--      0.0886                 0.0015                 0.0790
 AlphaG Fr= 1--      0.0068                -0.0013                -0.0091
 Gamma2 Fr= 1--      0.7018                -0.1690                 0.0810
 Delta2 Fr= 1--      0.2008                -0.0316                -0.0955
 Raman1 Fr= 1--       4.565                  0.046                 12.075
 ROA1   Fr= 1--      73.799                -17.232                  4.718
 CID1   Fr= 1--      16.167               -372.661                  0.391
 Raman2 Fr= 1--       1.064                  0.018                  0.948
 ROA2   Fr= 1--      15.237                 -3.802                  2.707
 CID2   Fr= 1--      14.325               -216.336                  2.857
 Raman3 Fr= 1--       2.127                  0.035                  1.895
 ROA3   Fr= 1--      73.799                -17.232                  4.718
 CID3   Fr= 1--      34.691               -490.270                  2.489
 RC180  Fr= 1--      -0.068                  0.520                 -0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.03     0.01   0.05  -0.20    -0.04   0.03   0.02
     2   6    -0.02   0.10  -0.06    -0.02  -0.05   0.21    -0.04   0.10   0.01
     3   6    -0.01   0.06   0.06     0.00  -0.00   0.01     0.06   0.06  -0.00
     4   6    -0.09   0.06  -0.06     0.01   0.05  -0.21    -0.06   0.00   0.01
     5   6    -0.10  -0.00  -0.05    -0.02  -0.05   0.20    -0.08  -0.05  -0.01
     6   6    -0.09  -0.04   0.07    -0.01  -0.00   0.00    -0.12  -0.03  -0.03
     7   6     0.04  -0.01   0.09     0.01  -0.00  -0.00     0.18  -0.11  -0.06
     8   7     0.24  -0.02  -0.09     0.01  -0.00  -0.00     0.07  -0.13   0.19
     9   6     0.01  -0.11   0.07     0.00   0.00  -0.00     0.03   0.10  -0.15
    10   1     0.18   0.36   0.25     0.00   0.03   0.06     0.08  -0.17   0.27
    11   1     0.07  -0.04   0.12     0.02  -0.01   0.00     0.26  -0.11  -0.09
    12   1     0.02  -0.22   0.22    -0.00   0.01  -0.01     0.04   0.25  -0.36
    13   1     0.01  -0.18  -0.06     0.00   0.01   0.00    -0.21   0.14   0.16
    14   1     0.01  -0.12   0.05     0.00   0.00  -0.01     0.01   0.29  -0.32
    15   1    -0.15   0.10  -0.12     0.02   0.11  -0.44    -0.17   0.05   0.03
    16   1    -0.11   0.00  -0.11    -0.03  -0.11   0.43    -0.07  -0.04  -0.00
    17   1    -0.09  -0.10   0.16    -0.01  -0.00   0.01    -0.12  -0.05  -0.06
    18   1     0.04   0.02  -0.07     0.03   0.11  -0.44     0.05  -0.02   0.04
    19   1    -0.01   0.12  -0.16    -0.03  -0.10   0.43    -0.07   0.07   0.02
    20   1     0.03  -0.48  -0.23    -0.04  -0.04  -0.02    -0.01   0.20   0.21
                     10                     11                     12
                      A                      A                      A
 Frequencies --    549.3697               600.3454               638.3303
 Red. masses --      3.0269                 3.1719                 6.3917
 Frc consts  --      0.5382                 0.6736                 1.5345
 IR Inten    --     14.2941                14.8649                 0.1232
 RamAct Fr= 1--      0.4907                 1.2960                 4.2531
  Dep-P Fr= 1--      0.3008                 0.6374                 0.7414
  Dep-U Fr= 1--      0.4625                 0.7785                 0.8515
 Alpha2 Fr= 1--      0.0050                 0.0026                 0.0006
 Beta2  Fr= 1--      0.0378                 0.1682                 0.6036
 AlphaG Fr= 1--     -0.0011                 0.0022                -0.0043
 Gamma2 Fr= 1--      0.1448                -0.1381                -0.0441
 Delta2 Fr= 1--      0.0066                -0.1401                -0.0500
 Raman1 Fr= 1--       1.963                  5.184                 17.012
 ROA1   Fr= 1--      14.115                -17.743                 -5.837
 CID1   Fr= 1--       7.191                 -3.423                 -0.343
 Raman2 Fr= 1--       0.454                  2.018                  7.243
 ROA2   Fr= 1--       3.423                 -2.194                 -0.659
 CID2   Fr= 1--       7.541                 -1.087                 -0.091
 Raman3 Fr= 1--       0.908                  4.036                 14.486
 ROA3   Fr= 1--      14.115                -17.743                 -5.837
 CID3   Fr= 1--      15.549                 -4.396                 -0.403
 RC180  Fr= 1--      -0.075                  0.557                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.13    -0.07   0.07   0.03    -0.22  -0.26  -0.07
     2   6    -0.02  -0.02   0.04    -0.02   0.02  -0.01    -0.26   0.18   0.02
     3   6     0.00  -0.08   0.27     0.16  -0.02  -0.02    -0.01   0.13   0.03
     4   6     0.01  -0.04   0.05     0.04  -0.16  -0.05     0.21   0.22   0.06
     5   6     0.02   0.02  -0.14     0.02  -0.10  -0.01     0.29  -0.21  -0.03
     6   6    -0.03  -0.05   0.18    -0.16   0.01  -0.03     0.01  -0.14  -0.04
     7   6     0.02   0.03  -0.05     0.17   0.20   0.12     0.00   0.01   0.01
     8   7    -0.08   0.03  -0.01    -0.08   0.05  -0.05    -0.01   0.04  -0.01
     9   6     0.07   0.03  -0.08    -0.01   0.00   0.02    -0.01  -0.00   0.02
    10   1    -0.05  -0.14  -0.02    -0.02  -0.43  -0.10    -0.00   0.01  -0.03
    11   1     0.09   0.07  -0.12     0.14   0.18   0.16     0.03   0.02   0.01
    12   1     0.15   0.06  -0.14    -0.26  -0.17   0.33    -0.01  -0.02   0.05
    13   1     0.14   0.06  -0.09    -0.09  -0.12  -0.12    -0.00  -0.01   0.00
    14   1     0.07   0.03   0.05     0.03  -0.08  -0.32    -0.01  -0.01   0.02
    15   1     0.02   0.04  -0.24    -0.04  -0.13  -0.00     0.06   0.28   0.08
    16   1     0.06   0.12  -0.48     0.17   0.00   0.07     0.16  -0.31  -0.03
    17   1    -0.03  -0.04   0.21    -0.16   0.04  -0.01    -0.04   0.28   0.06
    18   1     0.01   0.11  -0.48    -0.00   0.03   0.08    -0.06  -0.33  -0.06
    19   1    -0.02   0.03  -0.25    -0.17  -0.11  -0.01    -0.14   0.26   0.06
    20   1    -0.11   0.11  -0.02    -0.15  -0.15  -0.11    -0.01  -0.01  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    716.6841               768.9730               779.6976
 Red. masses --      1.7146                 3.2334                 1.9162
 Frc consts  --      0.5189                 1.1265                 0.6864
 IR Inten    --     44.9095                 9.0837                26.8328
 RamAct Fr= 1--      0.0915                16.3400                 1.0982
  Dep-P Fr= 1--      0.2139                 0.0200                 0.7474
  Dep-U Fr= 1--      0.3525                 0.0393                 0.8554
 Alpha2 Fr= 1--      0.0012                 0.3465                 0.0000
 Beta2  Fr= 1--      0.0054                 0.1070                 0.1566
 AlphaG Fr= 1--     -0.0001                -0.0487                 0.0010
 Gamma2 Fr= 1--     -0.0323                 0.2914                 0.4061
 Delta2 Fr= 1--      0.0002                 0.2100                -0.0592
 Raman1 Fr= 1--       0.366                 65.360                  4.393
 ROA1   Fr= 1--      -3.092                 34.696                 37.095
 CID1   Fr= 1--      -8.447                  0.531                  8.444
 Raman2 Fr= 1--       0.065                  1.284                  1.879
 ROA2   Fr= 1--      -0.776                  5.314                 10.221
 CID2   Fr= 1--     -12.021                  4.139                  5.440
 Raman3 Fr= 1--       0.129                  2.568                  3.758
 ROA3   Fr= 1--      -3.092                 34.696                 37.095
 CID3   Fr= 1--     -23.964                 13.512                  9.871
 RC180  Fr= 1--      -0.295                 -0.921                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.14     0.07   0.18   0.04     0.01   0.01   0.02
     2   6    -0.01  -0.02   0.07     0.04   0.16   0.06     0.01   0.03  -0.08
     3   6     0.01   0.02  -0.09     0.10   0.02  -0.03    -0.00  -0.05   0.21
     4   6    -0.00  -0.01   0.07     0.07  -0.12  -0.01     0.01   0.01  -0.09
     5   6     0.01   0.04  -0.14     0.09  -0.14  -0.04     0.01  -0.02   0.00
     6   6    -0.00  -0.02   0.06    -0.15  -0.03   0.01    -0.01   0.03  -0.13
     7   6     0.00  -0.00   0.00    -0.13  -0.11  -0.09    -0.02  -0.02  -0.01
     8   7     0.01  -0.00   0.00    -0.03   0.00  -0.04    -0.02   0.02  -0.01
     9   6    -0.00   0.00  -0.00    -0.08  -0.04   0.08     0.01  -0.00  -0.03
    10   1     0.00   0.01   0.02    -0.08   0.45   0.01    -0.02  -0.01  -0.01
    11   1    -0.02  -0.00   0.01    -0.10  -0.08  -0.12     0.04   0.02  -0.08
    12   1    -0.03  -0.01   0.02     0.14   0.06  -0.12     0.12   0.04  -0.11
    13   1    -0.02  -0.01   0.00     0.03   0.05   0.16     0.08   0.04  -0.02
    14   1     0.00  -0.00  -0.03    -0.11   0.00   0.41    -0.01   0.01   0.14
    15   1    -0.03  -0.12   0.50    -0.04  -0.07  -0.02    -0.00  -0.02   0.03
    16   1    -0.02  -0.06   0.23     0.26   0.00  -0.08    -0.01  -0.13   0.53
    17   1    -0.04  -0.14   0.56    -0.14  -0.03  -0.09    -0.05  -0.14   0.52
    18   1    -0.01  -0.05   0.20     0.31   0.10  -0.06    -0.01  -0.11   0.49
    19   1    -0.02  -0.10   0.46    -0.05   0.10   0.02    -0.00   0.01  -0.02
    20   1    -0.00  -0.02  -0.01     0.07   0.27   0.04    -0.03   0.01  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    842.9749               864.3076               921.9632
 Red. masses --      1.3856                 1.2554                 2.0579
 Frc consts  --      0.5801                 0.5525                 1.0306
 IR Inten    --     95.5088                 3.2954                 3.0032
 RamAct Fr= 1--      1.2370                 1.3592                 4.5354
  Dep-P Fr= 1--      0.5756                 0.7376                 0.6088
  Dep-U Fr= 1--      0.7306                 0.8490                 0.7568
 Alpha2 Fr= 1--      0.0041                 0.0003                 0.0118
 Beta2  Fr= 1--      0.1506                 0.1923                 0.5721
 AlphaG Fr= 1--      0.0076                 0.0014                 0.0018
 Gamma2 Fr= 1--     -0.9795                 0.8823                 0.8132
 Delta2 Fr= 1--     -0.6054                 0.7243                -0.3416
 Raman1 Fr= 1--       4.948                  5.437                 18.142
 ROA1   Fr= 1--    -113.402                107.873                 67.137
 CID1   Fr= 1--     -22.919                 19.841                  3.701
 Raman2 Fr= 1--       1.808                  2.308                  6.865
 ROA2   Fr= 1--     -18.665                 15.380                 22.250
 CID2   Fr= 1--     -10.326                  6.664                  3.241
 Raman3 Fr= 1--       3.615                  4.616                 13.730
 ROA3   Fr= 1--    -113.402                107.873                 67.137
 CID3   Fr= 1--     -31.369                 23.370                  4.890
 RC180  Fr= 1--       0.461                  0.698                  0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01   0.02  -0.08    -0.03  -0.05  -0.00
     2   6    -0.00  -0.02  -0.02     0.00   0.02  -0.05    -0.01  -0.04   0.03
     3   6     0.00  -0.00   0.02    -0.00   0.00  -0.01     0.04   0.01  -0.02
     4   6    -0.00  -0.01   0.01    -0.00  -0.02   0.07    -0.01   0.01   0.06
     5   6     0.01  -0.00   0.01    -0.01  -0.02   0.07    -0.05   0.05  -0.01
     6   6     0.00   0.01  -0.01    -0.00   0.00  -0.01     0.02   0.01  -0.05
     7   6    -0.01   0.08   0.01     0.00  -0.02  -0.00     0.14  -0.03  -0.09
     8   7    -0.01  -0.13  -0.03     0.00   0.03   0.01    -0.03   0.05  -0.09
     9   6     0.01   0.05  -0.01    -0.00  -0.01   0.01    -0.03  -0.08   0.16
    10   1    -0.06   0.47   0.25     0.01  -0.09  -0.04    -0.04   0.11   0.11
    11   1     0.05  -0.07   0.21    -0.01   0.01  -0.04     0.24   0.00  -0.15
    12   1    -0.10  -0.11   0.24     0.02   0.02  -0.05    -0.07   0.07  -0.02
    13   1     0.09  -0.05  -0.26    -0.02   0.01   0.06    -0.26  -0.02   0.49
    14   1     0.04  -0.11  -0.10    -0.01   0.03   0.02    -0.05   0.11   0.01
    15   1     0.01   0.03  -0.13     0.03   0.12  -0.48     0.00   0.10  -0.26
    16   1     0.01   0.02  -0.07     0.03   0.12  -0.47    -0.10  -0.01   0.08
    17   1    -0.00   0.01   0.06    -0.01  -0.02   0.07    -0.00  -0.09   0.31
    18   1    -0.04  -0.04   0.12    -0.03  -0.12   0.52    -0.08  -0.01  -0.10
    19   1    -0.02  -0.05   0.08    -0.02  -0.08   0.41    -0.01  -0.00  -0.23
    20   1     0.10   0.60   0.15    -0.03  -0.12  -0.03    -0.13   0.44  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    934.0109               968.6877               990.1679
 Red. masses --      1.4990                 1.3062                 1.2879
 Frc consts  --      0.7704                 0.7221                 0.7439
 IR Inten    --      4.0049                 0.0239                 1.1194
 RamAct Fr= 1--      0.9873                 0.0211                 0.3260
  Dep-P Fr= 1--      0.6888                 0.5839                 0.2449
  Dep-U Fr= 1--      0.8157                 0.7373                 0.3935
 Alpha2 Fr= 1--      0.0011                 0.0001                 0.0039
 Beta2  Fr= 1--      0.1342                 0.0026                 0.0214
 AlphaG Fr= 1--     -0.0055                 0.0026                -0.0031
 Gamma2 Fr= 1--     -1.1272                 0.1289                 0.3581
 Delta2 Fr= 1--      0.1905                -0.0532                -0.1876
 Raman1 Fr= 1--       3.949                  0.084                  1.304
 ROA1   Fr= 1--    -102.118                 10.672                 28.374
 CID1   Fr= 1--     -25.859                126.441                 21.763
 Raman2 Fr= 1--       1.611                  0.031                  0.257
 ROA2   Fr= 1--     -28.578                  3.519                 10.095
 CID2   Fr= 1--     -17.743                113.113                 39.352
 Raman3 Fr= 1--       3.221                  0.062                  0.513
 ROA3   Fr= 1--    -102.118                 10.672                 28.374
 CID3   Fr= 1--     -31.701                171.498                 55.306
 RC180  Fr= 1--       0.631                  0.475                 -0.213
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.04    -0.00  -0.00   0.02    -0.01  -0.03   0.10
     2   6    -0.00   0.00   0.07     0.00   0.01  -0.06     0.01   0.02  -0.10
     3   6    -0.02   0.01  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.02
     4   6    -0.00  -0.03   0.10    -0.00  -0.02   0.08     0.00   0.00   0.00
     5   6     0.02  -0.01  -0.03     0.01   0.03  -0.11    -0.00  -0.00   0.02
     6   6     0.00   0.02  -0.09    -0.01  -0.02   0.06    -0.01   0.01  -0.04
     7   6    -0.05   0.01   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   7     0.02  -0.02   0.04     0.00   0.00   0.00    -0.00   0.01  -0.01
     9   6     0.01   0.03  -0.04    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    10   1     0.03  -0.06  -0.06     0.01  -0.02   0.00    -0.00   0.00   0.02
    11   1    -0.15  -0.02   0.08     0.01  -0.00  -0.00     0.03   0.00  -0.01
    12   1    -0.03  -0.04   0.06     0.01   0.00  -0.00     0.02   0.01  -0.02
    13   1     0.05  -0.02  -0.16     0.01   0.01  -0.01     0.01   0.01   0.01
    14   1     0.03  -0.05  -0.08    -0.01  -0.00   0.03    -0.01   0.01   0.04
    15   1     0.04   0.12  -0.53     0.03   0.12  -0.49    -0.00  -0.01   0.05
    16   1     0.03  -0.03   0.09    -0.04  -0.16   0.65     0.01   0.04  -0.14
    17   1    -0.04  -0.14   0.55     0.02   0.10  -0.41    -0.03  -0.07   0.29
    18   1     0.06   0.07  -0.23    -0.00   0.00  -0.02     0.03   0.15  -0.62
    19   1     0.03   0.11  -0.34    -0.01  -0.06   0.28    -0.02  -0.15   0.66
    20   1     0.06  -0.21   0.03    -0.01  -0.01  -0.01    -0.02   0.01  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1005.2777              1025.6755              1053.7685
 Red. masses --      1.6119                 6.0827                 2.2093
 Frc consts  --      0.9598                 3.7702                 1.4454
 IR Inten    --      3.0317                 0.0127                 6.1476
 RamAct Fr= 1--      6.5300                50.9108                20.4644
  Dep-P Fr= 1--      0.3986                 0.0445                 0.0377
  Dep-U Fr= 1--      0.5700                 0.0851                 0.0726
 Alpha2 Fr= 1--      0.0486                 1.0190                 0.4162
 Beta2  Fr= 1--      0.6204                 0.7222                 0.2476
 AlphaG Fr= 1--     -0.0170                 0.0428                 0.0050
 Gamma2 Fr= 1--      1.2429                -0.3675                -0.2381
 Delta2 Fr= 1--      0.6356                -0.0886                 0.0287
 Raman1 Fr= 1--      26.120                203.643                 81.858
 ROA1   Fr= 1--     139.653                -38.111                -21.940
 CID1   Fr= 1--       5.347                 -0.187                 -0.268
 Raman2 Fr= 1--       7.444                  8.667                  2.972
 ROA2   Fr= 1--      24.744                 -8.110                 -5.945
 CID2   Fr= 1--       3.324                 -0.936                 -2.001
 Raman3 Fr= 1--      14.889                 17.334                  5.943
 ROA3   Fr= 1--     139.653                -38.111                -21.940
 CID3   Fr= 1--       9.380                 -2.199                 -3.692
 RC180  Fr= 1--       0.140                 -0.830                 -0.855
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01     0.00   0.19   0.05
     2   6     0.01  -0.03   0.00    -0.24   0.31   0.05    -0.04  -0.08  -0.03
     3   6     0.02   0.01  -0.02     0.01  -0.01   0.01    -0.03  -0.01   0.00
     4   6     0.00   0.01   0.00    -0.14  -0.34  -0.10    -0.05   0.07   0.01
     5   6    -0.01   0.01   0.00    -0.03   0.04   0.01     0.05  -0.18  -0.04
     6   6    -0.02   0.00  -0.00     0.38   0.04   0.03     0.13   0.01   0.01
     7   6     0.03   0.08  -0.10     0.03   0.01  -0.04     0.02   0.01  -0.02
     8   7     0.07  -0.06   0.04     0.02  -0.01   0.00     0.01  -0.00  -0.00
     9   6    -0.14   0.03   0.04    -0.02   0.01   0.02     0.00  -0.00   0.02
    10   1     0.11  -0.45   0.13     0.03  -0.12   0.05     0.02  -0.07   0.02
    11   1     0.12   0.11  -0.18    -0.03   0.02  -0.03     0.02   0.01  -0.03
    12   1     0.17  -0.07   0.10    -0.01  -0.03   0.07    -0.02  -0.00   0.02
    13   1     0.29   0.08  -0.26     0.02  -0.00  -0.03    -0.02  -0.01   0.03
    14   1    -0.15  -0.14   0.62    -0.02  -0.03   0.06     0.00   0.01  -0.02
    15   1    -0.01   0.02   0.02    -0.11  -0.38  -0.08    -0.37   0.20   0.03
    16   1    -0.01   0.02  -0.02    -0.03   0.02  -0.01    -0.25  -0.41  -0.12
    17   1    -0.02   0.02   0.03     0.40   0.02   0.04     0.14  -0.00   0.01
    18   1    -0.04  -0.01  -0.01     0.00  -0.02  -0.04    -0.34   0.34   0.05
    19   1     0.01  -0.02  -0.04    -0.24   0.31   0.13    -0.33  -0.30  -0.06
    20   1    -0.14   0.06  -0.02    -0.06   0.07  -0.02    -0.03   0.04  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1067.0634              1106.8477              1133.0728
 Red. masses --      1.6760                 1.6605                 2.1414
 Frc consts  --      1.1243                 1.1986                 1.6198
 IR Inten    --     10.7573                 4.6372                12.0688
 RamAct Fr= 1--      3.6109                 5.9846                 3.1439
  Dep-P Fr= 1--      0.1633                 0.1176                 0.5776
  Dep-U Fr= 1--      0.2808                 0.2105                 0.7322
 Alpha2 Fr= 1--      0.0540                 0.1003                 0.0102
 Beta2  Fr= 1--      0.1690                 0.2099                 0.3837
 AlphaG Fr= 1--      0.0047                 0.0462                 0.0462
 Gamma2 Fr= 1--      0.5924                 1.3753                -2.8725
 Delta2 Fr= 1--     -0.3789                 0.5207                -0.7282
 Raman1 Fr= 1--      14.444                 23.938                 12.576
 ROA1   Fr= 1--      44.749                148.688               -299.057
 CID1   Fr= 1--       3.098                  6.211                -23.781
 Raman2 Fr= 1--       2.028                  2.519                  4.604
 ROA2   Fr= 1--      17.249                 28.841                -63.114
 CID2   Fr= 1--       8.507                 11.449                -13.708
 Raman3 Fr= 1--       4.056                  5.038                  9.208
 ROA3   Fr= 1--      44.749                148.688               -299.057
 CID3   Fr= 1--      11.034                 29.512                -32.477
 RC180  Fr= 1--      -0.438                 -0.579                  0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.01    -0.02  -0.02  -0.01     0.04   0.04   0.01
     2   6    -0.04   0.04  -0.00     0.09  -0.01  -0.00    -0.05   0.01  -0.01
     3   6    -0.03  -0.07   0.02    -0.08   0.01   0.03    -0.08  -0.03   0.03
     4   6     0.04   0.06   0.01    -0.08  -0.04  -0.02     0.05   0.01  -0.00
     5   6    -0.03   0.03   0.01     0.08  -0.05  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.05  -0.01    -0.03   0.06   0.01    -0.02  -0.04  -0.01
     7   6     0.02  -0.11  -0.10    -0.02  -0.00  -0.10    -0.06   0.19  -0.11
     8   7     0.02   0.06  -0.00     0.03  -0.01   0.01     0.04  -0.12   0.03
     9   6     0.02   0.09   0.06     0.04   0.02   0.07     0.06  -0.06   0.07
    10   1     0.05  -0.31   0.04     0.05  -0.18   0.03     0.05  -0.06   0.05
    11   1    -0.28  -0.21   0.15    -0.14  -0.01  -0.05    -0.14   0.35  -0.34
    12   1    -0.24  -0.15   0.44    -0.18  -0.02   0.18    -0.16   0.10  -0.08
    13   1    -0.02  -0.11  -0.24    -0.14  -0.08   0.06    -0.24  -0.03   0.36
    14   1     0.07  -0.18  -0.22     0.06  -0.01  -0.24     0.04   0.17  -0.24
    15   1     0.21  -0.02   0.05    -0.33   0.04   0.03     0.34  -0.12   0.03
    16   1    -0.11  -0.03  -0.01     0.28   0.08   0.04    -0.01  -0.00   0.00
    17   1     0.01  -0.26  -0.08    -0.08   0.43   0.10     0.01  -0.23  -0.06
    18   1     0.19  -0.02   0.01    -0.16   0.03   0.01     0.23  -0.03   0.00
    19   1    -0.10  -0.01   0.04     0.46   0.26   0.11    -0.16  -0.07   0.03
    20   1    -0.21   0.17  -0.08    -0.08   0.01  -0.03     0.11  -0.17   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1183.7048              1198.9037              1205.9546
 Red. masses --      1.1191                 1.3368                 1.6553
 Frc consts  --      0.9239                 1.1321                 1.4183
 IR Inten    --      0.2006                 2.0854                 1.7705
 RamAct Fr= 1--      3.9703                10.4385                 6.7377
  Dep-P Fr= 1--      0.7400                 0.1743                 0.1491
  Dep-U Fr= 1--      0.8506                 0.2969                 0.2595
 Alpha2 Fr= 1--      0.0007                 0.1516                 0.1044
 Beta2  Fr= 1--      0.5629                 0.5165                 0.2914
 AlphaG Fr= 1--     -0.0001                 0.0533                 0.0301
 Gamma2 Fr= 1--      0.1664                 0.3621                 0.0498
 Delta2 Fr= 1--      0.1049                 0.7168                -0.0146
 Raman1 Fr= 1--      15.881                 41.754                 26.951
 ROA1   Fr= 1--      19.331                 57.703                  4.313
 CID1   Fr= 1--       1.217                  1.382                  0.160
 Raman2 Fr= 1--       6.754                  6.198                  3.497
 ROA2   Fr= 1--       3.154                  2.957                  1.311
 CID2   Fr= 1--       0.467                  0.477                  0.375
 Raman3 Fr= 1--      13.509                 12.395                  6.994
 ROA3   Fr= 1--      19.331                 57.703                  4.313
 CID3   Fr= 1--       1.431                  4.655                  0.617
 RC180  Fr= 1--       0.701                 -0.406                 -0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.02  -0.00    -0.01   0.05   0.01    -0.07  -0.02  -0.01
     2   6    -0.00  -0.01  -0.00     0.01   0.02   0.01     0.06   0.03   0.01
     3   6     0.01   0.00   0.00    -0.11  -0.01  -0.02     0.15   0.01   0.03
     4   6     0.01  -0.01  -0.00     0.04  -0.02  -0.00     0.05  -0.01  -0.00
     5   6    -0.04  -0.03  -0.01    -0.01  -0.05  -0.01    -0.07   0.01  -0.00
     6   6    -0.01   0.07   0.02    -0.01   0.00  -0.00     0.01   0.00   0.00
     7   6    -0.00  -0.01  -0.01     0.03   0.01   0.06    -0.04  -0.01  -0.08
     8   7    -0.00   0.00   0.00     0.02   0.01  -0.03    -0.03  -0.02   0.04
     9   6     0.00   0.01   0.00    -0.01  -0.03  -0.02     0.01   0.04   0.03
    10   1    -0.00   0.01  -0.01     0.03  -0.14   0.12    -0.05   0.25  -0.17
    11   1    -0.01  -0.01  -0.01     0.09  -0.04   0.13    -0.08   0.05  -0.17
    12   1    -0.01  -0.01   0.03     0.09   0.04  -0.14    -0.11  -0.05   0.18
    13   1    -0.01  -0.01  -0.01     0.04   0.03   0.03    -0.05  -0.04  -0.05
    14   1     0.01  -0.01  -0.01    -0.02   0.04   0.04     0.02  -0.06  -0.05
    15   1     0.13  -0.06  -0.01     0.54  -0.23  -0.03     0.17  -0.05   0.01
    16   1    -0.38  -0.27  -0.09    -0.26  -0.24  -0.08    -0.41  -0.24  -0.09
    17   1    -0.09   0.66   0.16    -0.01   0.02   0.00     0.01  -0.02  -0.00
    18   1     0.44  -0.19  -0.02    -0.23   0.14   0.02    -0.52   0.16   0.00
    19   1    -0.15  -0.12  -0.03     0.40   0.32   0.07     0.19   0.12   0.06
    20   1     0.01  -0.02   0.00    -0.10   0.21  -0.04     0.17  -0.33   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1258.1689              1333.4907              1355.1139
 Red. masses --      1.4603                 2.8708                 1.7307
 Frc consts  --      1.3620                 3.0076                 1.8725
 IR Inten    --      0.5012                 6.5239                 4.6620
 RamAct Fr= 1--     12.7042                 1.8085                 0.4310
  Dep-P Fr= 1--      0.1738                 0.1916                 0.6371
  Dep-U Fr= 1--      0.2961                 0.3216                 0.7783
 Alpha2 Fr= 1--      0.1848                 0.0251                 0.0009
 Beta2  Fr= 1--      0.6269                 0.0969                 0.0559
 AlphaG Fr= 1--     -0.1436                 0.0348                -0.0025
 Gamma2 Fr= 1--     -1.6200                -0.7856                -0.4727
 Delta2 Fr= 1--      0.1075                -0.1571                 0.1661
 Raman1 Fr= 1--      50.817                  7.234                  1.724
 ROA1   Fr= 1--    -152.080                -80.442                -40.066
 CID1   Fr= 1--      -2.993                -11.120                -23.241
 Raman2 Fr= 1--       7.523                  1.163                  0.671
 ROA2   Fr= 1--     -39.740                -17.596                -12.674
 CID2   Fr= 1--      -5.282                -15.129                -18.891
 Raman3 Fr= 1--      15.046                  2.326                  1.342
 ROA3   Fr= 1--    -152.080                -80.442                -40.066
 CID3   Fr= 1--     -10.107                -34.581                -29.860
 RC180  Fr= 1--      -0.408                 -0.357                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01   0.01     0.12  -0.09  -0.01    -0.06   0.00  -0.00
     2   6    -0.03  -0.04  -0.01    -0.06  -0.07  -0.02     0.13   0.06   0.02
     3   6    -0.11   0.07   0.01     0.04   0.24   0.06     0.01   0.02   0.01
     4   6    -0.00  -0.03  -0.01     0.12  -0.07  -0.01    -0.13   0.03  -0.00
     5   6     0.01  -0.04  -0.01    -0.12  -0.08  -0.03     0.05   0.03   0.01
     6   6    -0.00   0.02   0.00    -0.01   0.11   0.03     0.02  -0.12  -0.03
     7   6     0.05  -0.04  -0.05    -0.13   0.00  -0.03    -0.04   0.01  -0.02
     8   7    -0.04   0.02   0.04     0.06   0.02  -0.00     0.01   0.01   0.01
     9   6    -0.01   0.06   0.03     0.04  -0.03  -0.01     0.01  -0.01  -0.00
    10   1    -0.06   0.29  -0.17     0.08  -0.31   0.08     0.02  -0.08  -0.01
    11   1     0.69  -0.08  -0.16    -0.05  -0.29   0.39     0.12  -0.15   0.17
    12   1    -0.03  -0.07   0.22    -0.08   0.06  -0.11    -0.06   0.01  -0.02
    13   1     0.02  -0.02  -0.13    -0.10  -0.06   0.08    -0.03  -0.01   0.04
    14   1     0.02  -0.11  -0.01     0.01   0.07  -0.04    -0.00   0.05   0.02
    15   1     0.24  -0.14  -0.01     0.12  -0.07  -0.01     0.49  -0.23  -0.02
    16   1     0.19   0.08   0.03     0.21   0.16   0.06     0.17   0.11   0.04
    17   1     0.01  -0.06  -0.01     0.01  -0.07  -0.02    -0.05   0.32   0.08
    18   1     0.03   0.02   0.01    -0.39   0.12   0.00    -0.25   0.08   0.00
    19   1    -0.03  -0.04  -0.01    -0.23  -0.19  -0.06    -0.44  -0.36  -0.10
    20   1     0.15  -0.31   0.05    -0.19   0.18  -0.07    -0.05   0.03  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1369.3149              1402.6143              1406.7730
 Red. masses --      1.3650                 1.5103                 1.2486
 Frc consts  --      1.5080                 1.7506                 1.4558
 IR Inten    --     10.7845                10.7972                10.8510
 RamAct Fr= 1--      8.2424                 3.2977                 0.6860
  Dep-P Fr= 1--      0.4333                 0.2278                 0.7499
  Dep-U Fr= 1--      0.6047                 0.3711                 0.8571
 Alpha2 Fr= 1--      0.0540                 0.0416                 0.0000
 Beta2  Fr= 1--      0.8306                 0.2040                 0.0980
 AlphaG Fr= 1--      0.0086                 0.0679                -0.0000
 Gamma2 Fr= 1--      1.4710                 0.2262                 0.1145
 Delta2 Fr= 1--     -0.2026                -0.7257                 0.1257
 Raman1 Fr= 1--      32.969                 13.191                  2.744
 ROA1   Fr= 1--     134.732                 -1.506                 15.012
 CID1   Fr= 1--       4.087                 -0.114                  5.471
 Raman2 Fr= 1--       9.968                  2.448                  1.176
 ROA2   Fr= 1--      36.924                 11.234                  1.742
 CID2   Fr= 1--       3.704                  4.590                  1.481
 Raman3 Fr= 1--      19.935                  4.895                  2.352
 ROA3   Fr= 1--     134.732                 -1.506                 15.012
 CID3   Fr= 1--       6.758                 -0.308                  6.383
 RC180  Fr= 1--       0.209                 -0.258                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.06   0.01  -0.00     0.02  -0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.00  -0.00
     3   6    -0.00  -0.04   0.01     0.04  -0.03  -0.02    -0.02   0.01   0.00
     4   6     0.00   0.00  -0.00     0.01  -0.02  -0.00    -0.00   0.01   0.00
     5   6     0.02   0.02   0.00     0.04   0.04   0.01    -0.01  -0.02  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.03   0.09  -0.12    -0.16   0.00   0.03     0.05  -0.01   0.01
     8   7    -0.01   0.01   0.04     0.04   0.02  -0.01    -0.01  -0.01  -0.00
     9   6    -0.02  -0.05  -0.01     0.07   0.02  -0.04     0.04   0.02  -0.13
    10   1    -0.02   0.11  -0.12     0.06  -0.22   0.07    -0.01   0.04   0.02
    11   1     0.07  -0.48   0.72     0.69  -0.09  -0.08    -0.23   0.07  -0.02
    12   1     0.00  -0.00  -0.07    -0.28  -0.03   0.12    -0.18  -0.31   0.42
    13   1     0.01   0.05   0.15    -0.24  -0.07   0.10    -0.27   0.17   0.46
    14   1    -0.06   0.11   0.14     0.04   0.02   0.16    -0.01  -0.06   0.52
    15   1    -0.12   0.05   0.02    -0.17   0.05  -0.01     0.07  -0.02  -0.01
    16   1    -0.09  -0.06  -0.02    -0.20  -0.14  -0.05     0.08   0.05   0.02
    17   1     0.01  -0.08  -0.02     0.02  -0.16  -0.04    -0.01   0.05   0.01
    18   1     0.14  -0.05  -0.00     0.17  -0.08  -0.01    -0.05   0.03   0.01
    19   1     0.10   0.07   0.03     0.09   0.05   0.00     0.00   0.01  -0.00
    20   1     0.07  -0.22   0.03    -0.14   0.14  -0.05     0.06  -0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1489.4670              1491.9474              1497.0342
 Red. masses --      1.5024                 1.0977                 1.2822
 Frc consts  --      1.9638                 1.4396                 1.6931
 IR Inten    --      4.4660                12.4367                 0.8249
 RamAct Fr= 1--      2.4950                 4.1327                 3.0807
  Dep-P Fr= 1--      0.6347                 0.6611                 0.6144
  Dep-U Fr= 1--      0.7765                 0.7960                 0.7612
 Alpha2 Fr= 1--      0.0052                 0.0066                 0.0077
 Beta2  Fr= 1--      0.3229                 0.5483                 0.3908
 AlphaG Fr= 1--      0.0020                 0.0232                -0.0258
 Gamma2 Fr= 1--      4.2606                -1.3109                -1.9730
 Delta2 Fr= 1--     -1.1946                 0.8399                -0.3084
 Raman1 Fr= 1--       9.980                 16.531                 12.323
 ROA1   Fr= 1--     370.792                -98.966               -199.280
 CID1   Fr= 1--      37.153                 -5.987                -16.172
 Raman2 Fr= 1--       3.875                  6.579                  4.690
 ROA2   Fr= 1--     111.811                -38.179                -44.885
 CID2   Fr= 1--      28.856                 -5.803                 -9.571
 Raman3 Fr= 1--       7.750                 13.158                  9.380
 ROA3   Fr= 1--     370.792                -98.966               -199.280
 CID3   Fr= 1--      47.846                 -7.521                -21.246
 RC180  Fr= 1--       0.553                  0.592                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.01     0.03   0.00   0.00     0.05   0.01   0.01
     2   6    -0.07   0.02   0.00    -0.02   0.01   0.00    -0.03   0.03   0.00
     3   6     0.02  -0.10  -0.02     0.00  -0.03  -0.01     0.01  -0.07  -0.02
     4   6     0.04   0.05   0.01     0.02   0.01   0.00     0.05   0.02   0.01
     5   6    -0.09  -0.01  -0.01    -0.03   0.00  -0.00    -0.05   0.01  -0.00
     6   6     0.02  -0.08  -0.02     0.00  -0.03  -0.01     0.00  -0.06  -0.02
     7   6     0.01   0.02   0.01    -0.02  -0.01   0.00    -0.06   0.03  -0.00
     8   7    -0.01   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
     9   6     0.04   0.00   0.01    -0.01  -0.05  -0.01    -0.03   0.02  -0.01
    10   1    -0.01   0.03   0.02     0.00   0.00  -0.03     0.01  -0.06   0.02
    11   1     0.11  -0.01   0.02     0.11   0.00  -0.07     0.23  -0.05   0.03
    12   1    -0.36   0.26  -0.24    -0.25  -0.16   0.24     0.57  -0.20   0.13
    13   1    -0.24  -0.31  -0.29     0.53   0.28   0.04    -0.04   0.19   0.33
    14   1     0.00  -0.01   0.32    -0.10   0.63  -0.14     0.07  -0.36  -0.34
    15   1    -0.05   0.09   0.02    -0.05   0.04   0.01    -0.11   0.09   0.01
    16   1     0.20   0.21   0.07     0.04   0.06   0.02     0.06   0.10   0.03
    17   1    -0.04   0.39   0.09    -0.02   0.13   0.03    -0.04   0.25   0.06
    18   1    -0.16   0.14   0.02    -0.08   0.05   0.01    -0.16   0.10   0.01
    19   1     0.09   0.15   0.04     0.02   0.04   0.01     0.01   0.06   0.02
    20   1     0.05  -0.04   0.02    -0.05   0.02  -0.01    -0.02   0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7745              1629.4700              1647.3311
 Red. masses --      2.2230                 5.2150                 2.7491
 Frc consts  --      3.0772                 8.1582                 4.3954
 IR Inten    --      9.7686                 0.4861                 8.8226
 RamAct Fr= 1--      0.2723                 8.1000                28.1036
  Dep-P Fr= 1--      0.6229                 0.7454                 0.6472
  Dep-U Fr= 1--      0.7677                 0.8541                 0.7858
 Alpha2 Fr= 1--      0.0006                 0.0006                 0.0520
 Beta2  Fr= 1--      0.0348                 1.1531                 3.6808
 AlphaG Fr= 1--      0.0031                 0.0068                 0.0026
 Gamma2 Fr= 1--     -0.1198                -1.5466                 2.7020
 Delta2 Fr= 1--     -0.0145                -0.1254                -0.0241
 Raman1 Fr= 1--       1.089                 32.400                112.415
 ROA1   Fr= 1--     -11.968               -152.487                258.619
 CID1   Fr= 1--     -10.990                 -4.706                  2.301
 Raman2 Fr= 1--       0.418                 13.837                 44.170
 ROA2   Fr= 1--      -2.760                -36.116                 65.041
 CID2   Fr= 1--      -6.602                 -2.610                  1.473
 Raman3 Fr= 1--       0.836                 27.673                 88.340
 ROA3   Fr= 1--     -11.968               -152.487                258.619
 CID3   Fr= 1--     -14.316                 -5.510                  2.928
 RC180  Fr= 1--       0.535                  0.708                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.09   0.01     0.07  -0.18  -0.04    -0.18   0.04  -0.00
     2   6    -0.05  -0.10  -0.03     0.09   0.19   0.05     0.16   0.05   0.02
     3   6     0.14   0.02   0.01     0.03  -0.29  -0.07    -0.13   0.02  -0.00
     4   6    -0.08   0.08   0.02    -0.10   0.16   0.04     0.19  -0.05   0.00
     5   6    -0.10  -0.11  -0.03    -0.06  -0.21  -0.06    -0.15  -0.04  -0.02
     6   6     0.11   0.01   0.01    -0.03   0.33   0.08     0.09  -0.02   0.00
     7   6    -0.04  -0.00  -0.00    -0.02   0.03   0.00     0.01  -0.01  -0.01
     8   7     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.03   0.03  -0.04
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.01  -0.02  -0.03    -0.01  -0.06   0.16    -0.01  -0.21   0.51
    11   1    -0.03  -0.01   0.01     0.24  -0.03   0.00     0.01  -0.03  -0.00
    12   1     0.09  -0.04   0.03     0.01   0.00  -0.00    -0.02  -0.00   0.01
    13   1     0.04   0.05   0.06     0.01   0.01   0.01     0.03   0.01  -0.02
    14   1     0.00  -0.01  -0.10     0.00   0.00  -0.02    -0.01   0.03   0.00
    15   1     0.42  -0.11  -0.00     0.27   0.02   0.02    -0.23   0.13   0.02
    16   1     0.40   0.24   0.09     0.27   0.01   0.02     0.10   0.15   0.05
    17   1     0.13   0.02   0.01     0.08  -0.45  -0.11     0.09   0.04   0.02
    18   1     0.47  -0.15  -0.00    -0.19  -0.09  -0.03     0.19  -0.12  -0.02
    19   1     0.38   0.20   0.06    -0.28  -0.07  -0.03    -0.13  -0.18  -0.05
    20   1    -0.05   0.03  -0.02     0.17  -0.05   0.06     0.53  -0.12   0.16
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.8729              2942.9079              3028.5797
 Red. masses --      1.3941                 1.0824                 1.0373
 Frc consts  --      2.2521                 5.5233                 5.6058
 IR Inten    --     38.3326                54.7058                34.4198
 RamAct Fr= 1--     11.4996                91.4601               222.9032
  Dep-P Fr= 1--      0.5824                 0.2130                 0.0604
  Dep-U Fr= 1--      0.7361                 0.3511                 0.1139
 Alpha2 Fr= 1--      0.0361                 1.1998                 4.2952
 Beta2  Fr= 1--      1.4108                 5.3524                 4.2311
 AlphaG Fr= 1--      0.0662                 1.0161                 0.0981
 Gamma2 Fr= 1--     -0.6994                 1.9605                 1.1311
 Delta2 Fr= 1--     -0.2523                 1.3939                -0.8209
 Raman1 Fr= 1--      45.998                365.840                891.613
 ROA1   Fr= 1--     -75.218                232.817                 82.321
 CID1   Fr= 1--      -1.635                  0.636                  0.092
 Raman2 Fr= 1--      16.930                 64.229                 50.773
 ROA2   Fr= 1--     -14.768                 35.902                 33.714
 CID2   Fr= 1--      -0.872                  0.559                  0.664
 Raman3 Fr= 1--      33.860                128.458                101.547
 ROA3   Fr= 1--     -75.218                232.817                 82.321
 CID3   Fr= 1--      -2.221                  1.812                  0.811
 RC180  Fr= 1--       0.472                 -0.298                 -0.772
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.07  -0.04  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.06   0.02   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.08   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.07   0.03   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.03  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02  -0.02  -0.02    -0.02  -0.07  -0.05    -0.00  -0.00  -0.00
     8   7    -0.04   0.04  -0.05     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.01     0.00   0.01   0.00    -0.04  -0.01   0.03
    10   1    -0.01  -0.27   0.63    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    11   1     0.02  -0.06   0.02     0.16   0.82   0.54     0.00   0.01   0.01
    12   1     0.00  -0.01   0.01    -0.01  -0.04  -0.03    -0.09  -0.39  -0.27
    13   1     0.05   0.02  -0.01     0.02  -0.02   0.01    -0.20   0.35  -0.19
    14   1    -0.01   0.03  -0.04    -0.04  -0.00  -0.00     0.74   0.12   0.06
    15   1     0.08  -0.06  -0.01    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1    -0.06  -0.06  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.04   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.05   0.05   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1     0.08   0.08   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.63  -0.13   0.19     0.01   0.00  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.5548              3113.9039              3156.2114
 Red. masses --      1.0981                 1.1026                 1.0866
 Frc consts  --      6.1877                 6.2992                 6.3775
 IR Inten    --     33.5439                17.8559                 8.1994
 RamAct Fr= 1--     76.5312                34.5628                45.9278
  Dep-P Fr= 1--      0.7489                 0.7245                 0.4698
  Dep-U Fr= 1--      0.8565                 0.8403                 0.6392
 Alpha2 Fr= 1--      0.0014                 0.0151                 0.2595
 Beta2  Fr= 1--     10.9242                 4.8403                 4.8932
 AlphaG Fr= 1--     -0.0037                -0.0481                -0.1248
 Gamma2 Fr= 1--     -0.9034                 0.5848                -0.5404
 Delta2 Fr= 1--      0.8306                 0.2139                 0.4257
 Raman1 Fr= 1--     306.125                138.251                183.711
 ROA1   Fr= 1--     -60.145                 62.980                -38.257
 CID1   Fr= 1--      -0.196                  0.456                 -0.208
 Raman2 Fr= 1--     131.091                 58.084                 58.719
 ROA2   Fr= 1--     -28.326                 12.323                -16.376
 CID2   Fr= 1--      -0.216                  0.212                 -0.279
 Raman3 Fr= 1--     262.181                116.168                117.437
 ROA3   Fr= 1--     -60.145                 62.980                -38.257
 CID3   Fr= 1--      -0.229                  0.542                 -0.326
 RC180  Fr= 1--       0.713                  0.681                  0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.07  -0.02
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.03   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     8   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08  -0.01  -0.05     0.02  -0.09  -0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.01   0.03   0.02     0.01   0.05   0.03     0.01   0.01   0.01
    12   1     0.07   0.46   0.32     0.11   0.53   0.38     0.00   0.01   0.01
    13   1     0.20  -0.41   0.22    -0.32   0.58  -0.33    -0.00   0.01  -0.00
    14   1     0.63   0.10   0.04    -0.00  -0.02  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.33   0.78   0.22
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.25  -0.33  -0.07
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.18  -0.02  -0.02
    18   1     0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.11   0.03
    19   1     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.02  -0.03  -0.01
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3167.2764              3177.6927              3190.1981
 Red. masses --      1.0865                 1.0909                 1.0944
 Frc consts  --      6.4217                 6.4903                 6.5626
 IR Inten    --      0.4947                22.3618                19.7780
 RamAct Fr= 1--     99.7379                82.7206               134.9416
  Dep-P Fr= 1--      0.6027                 0.7067                 0.1304
  Dep-U Fr= 1--      0.7521                 0.8281                 0.2307
 Alpha2 Fr= 1--      0.2715                 0.0622                 2.1917
 Beta2  Fr= 1--     12.5029                11.4174                 5.1881
 AlphaG Fr= 1--     -0.0528                -0.0241                -0.2016
 Gamma2 Fr= 1--      0.6758                -0.6576                 1.2795
 Delta2 Fr= 1--      0.1947                -0.4207                -2.4232
 Raman1 Fr= 1--     398.952                330.882                539.766
 ROA1   Fr= 1--      71.105                -76.588                 45.290
 CID1   Fr= 1--       0.178                 -0.231                  0.084
 Raman2 Fr= 1--     150.035                137.009                 62.257
 ROA2   Fr= 1--      14.662                -12.415                 50.093
 CID2   Fr= 1--       0.098                 -0.091                  0.805
 Raman3 Fr= 1--     300.069                274.018                124.514
 ROA3   Fr= 1--      71.105                -76.588                 45.290
 CID3   Fr= 1--       0.237                 -0.280                  0.364
 RC180  Fr= 1--       0.504                  0.656                 -0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     2   6    -0.01   0.01   0.00    -0.01   0.02   0.00    -0.02   0.03   0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03   0.01    -0.01  -0.02  -0.01     0.01   0.01   0.00
     5   6    -0.01   0.01   0.00     0.04  -0.04  -0.01    -0.03   0.04   0.01
     6   6     0.05   0.01   0.00    -0.03  -0.00  -0.00    -0.06  -0.01  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.12  -0.29  -0.08     0.11   0.26   0.08    -0.07  -0.15  -0.04
    16   1     0.12  -0.16  -0.03    -0.40   0.51   0.10     0.33  -0.43  -0.09
    17   1    -0.56  -0.07  -0.05     0.34   0.04   0.03     0.65   0.08   0.06
    18   1     0.26   0.62   0.17     0.20   0.48   0.13     0.06   0.15   0.04
    19   1     0.13  -0.16  -0.03     0.14  -0.19  -0.03     0.27  -0.35  -0.06
    20   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3197.6487              3485.0365              3565.4792
 Red. masses --      1.0945                 1.0486                 1.0939
 Frc consts  --      6.5934                 7.5033                 8.1933
 IR Inten    --      7.3014                 0.3154                 0.3838
 RamAct Fr= 1--    212.5552               187.1748                81.4333
  Dep-P Fr= 1--      0.0960                 0.1003                 0.7035
  Dep-U Fr= 1--      0.1751                 0.1823                 0.8260
 Alpha2 Fr= 1--      3.7583                 3.2748                 0.0658
 Beta2  Fr= 1--      6.2045                 5.6872                11.2101
 AlphaG Fr= 1--      0.0326                -1.2718                 0.1446
 Gamma2 Fr= 1--     -1.4247                -2.6531                -4.7532
 Delta2 Fr= 1--      1.9027                 0.5101                -1.7032
 Raman1 Fr= 1--     850.221                748.699                325.733
 ROA1   Fr= 1--     -75.886               -238.371               -510.807
 CID1   Fr= 1--      -0.089                 -0.318                 -1.568
 Raman2 Fr= 1--      74.454                 68.247                134.521
 ROA2   Fr= 1--     -49.415                -67.754               -100.451
 CID2   Fr= 1--      -0.664                 -0.993                 -0.747
 Raman3 Fr= 1--     148.908                136.493                269.042
 ROA3   Fr= 1--     -75.886               -238.371               -510.807
 CID3   Fr= 1--      -0.510                 -1.746                 -1.899
 RC180  Fr= 1--      -0.650                 -0.635                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.05  -0.06  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00    -0.03   0.01  -0.05    -0.07  -0.01   0.04
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   1     0.00   0.00  -0.00     0.68   0.07   0.00     0.72   0.09   0.04
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00  -0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.02  -0.04  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.11  -0.14  -0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.29   0.03   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.16   0.38   0.10    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.51   0.65   0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.27  -0.12   0.66     0.23   0.10  -0.64

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   523.996361619.923491832.00536
           X            0.99997   0.00657  -0.00461
           Y           -0.00655   0.99997   0.00434
           Z            0.00464  -0.00431   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16529     0.05347     0.04728
 Rotational constants (GHZ):           3.44419     1.11409     0.98512
 Zero-point vibrational energy     456063.0 (Joules/Mol)
                                  109.00167 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     63.11   183.67   309.66   369.29   407.86
          (Kelvin)            444.74   530.20   599.60   696.20   790.42
                              863.76   918.41  1031.15  1106.38  1121.81
                             1212.85  1243.55  1326.50  1343.83  1393.73
                             1424.63  1446.37  1475.72  1516.14  1535.27
                             1592.51  1630.24  1703.09  1724.95  1735.10
                             1810.22  1918.60  1949.71  1970.14  2018.05
                             2024.03  2143.01  2146.58  2153.90  2205.32
                             2344.44  2370.14  2382.43  4234.19  4357.45
                             4449.50  4480.21  4541.08  4557.00  4571.99
                             4589.98  4600.70  5014.19  5129.93
 
 Zero-point correction=                           0.173705 (Hartree/Particle)
 Thermal correction to Energy=                    0.182186
 Thermal correction to Enthalpy=                  0.183130
 Thermal correction to Gibbs Free Energy=         0.140315
 Sum of electronic and zero-point Energies=           -366.228140
 Sum of electronic and thermal Energies=              -366.219660
 Sum of electronic and thermal Enthalpies=            -366.218715
 Sum of electronic and thermal Free Energies=         -366.261530
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.323             32.909             90.110
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.832
 Vibrational            112.546             26.948             20.990
 Vibration     1          0.595              1.980              5.076
 Vibration     2          0.611              1.926              2.981
 Vibration     3          0.645              1.818              1.999
 Vibration     4          0.666              1.752              1.684
 Vibration     5          0.682              1.704              1.513
 Vibration     6          0.698              1.656              1.367
 Vibration     7          0.741              1.537              1.086
 Vibration     8          0.780              1.434              0.903
 Vibration     9          0.840              1.286              0.700
 Vibration    10          0.905              1.141              0.545
 Vibration    11          0.958              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288034D-64        -64.540556       -148.610122
 Total V=0       0.228153D+16         15.358226         35.363623
 Vib (Bot)       0.123200D-77        -77.909388       -179.392995
 Vib (Bot)    1  0.471538D+01          0.673517          1.550829
 Vib (Bot)    2  0.159791D+01          0.203552          0.468696
 Vib (Bot)    3  0.920866D+00         -0.035803         -0.082441
 Vib (Bot)    4  0.757967D+00         -0.120350         -0.277115
 Vib (Bot)    5  0.676970D+00         -0.169430         -0.390128
 Vib (Bot)    6  0.612048D+00         -0.213215         -0.490945
 Vib (Bot)    7  0.494552D+00         -0.305788         -0.704103
 Vib (Bot)    8  0.422387D+00         -0.374289         -0.861833
 Vib (Bot)    9  0.344483D+00         -0.462832         -1.065710
 Vib (Bot)   10  0.285832D+00         -0.543890         -1.252353
 Vib (Bot)   11  0.248634D+00         -0.604439         -1.391773
 Vib (V=0)       0.975875D+02          1.989394          4.580749
 Vib (V=0)    1  0.524181D+01          0.719482          1.656668
 Vib (V=0)    2  0.217431D+01          0.337322          0.776712
 Vib (V=0)    3  0.154785D+01          0.189730          0.436868
 Vib (V=0)    4  0.140803D+01          0.148611          0.342190
 Vib (V=0)    5  0.134160D+01          0.127623          0.293862
 Vib (V=0)    6  0.129032D+01          0.110697          0.254889
 Vib (V=0)    7  0.120326D+01          0.080361          0.185039
 Vib (V=0)    8  0.115453D+01          0.062406          0.143694
 Vib (V=0)    9  0.110718D+01          0.044219          0.101817
 Vib (V=0)   10  0.107593D+01          0.031786          0.073189
 Vib (V=0)   11  0.105841D+01          0.024653          0.056765
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.446396D+06          5.649720         13.008962
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333  3  2                                           111 1111 11111 1111111111                                    
     5  4       1111110  0  9                                           666 5444 44333 2211110000999988 77 7  66 5 4  43 322 2  1    
     6  8       9976519  2  4                                           542 3998 00653 5098306520963264 86 1  30 4 8  16 085 1  2  4 
     5  5       8087643  9  3                                           679 3729 73953 8694377465094243 09 7  80 9 4  79 937 5  8  4 
 
     X  X       XXXXXXX  X  X                                           XXX XXXX XXXXX XXXXXXXX XX XXXX XX X  XX X X  XX XXX X  X  X 
                XXX XXX  X  X                                           XX  X X  XXX       X X        X XX X   X X     X  XX         
                 XX  XX  X  X                                           X     X            X          X X  X   X X        XX         
                 XX  XX  X  X                                           X                             X X  X              X          
                  X   X  X  X                                           X                             X X  X              X          
                      X  X  X                                           X                             X X  X                         
                      X  X  X                                           X                             X    X                         
                            X                                           X                             X    X                         
                            X                                                                         X    X                         
                            X                                                                         X                              
                            X                                                                         X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007657   -0.000003940    0.000001122
      2        6          -0.000005405   -0.000005277   -0.000002029
      3        6          -0.000000871    0.000012383   -0.000002427
      4        6           0.000008339   -0.000003972    0.000000687
      5        6          -0.000005820   -0.000003822   -0.000000495
      6        6          -0.000000253    0.000007211    0.000000302
      7        6          -0.000002957   -0.000007290    0.000007643
      8        7          -0.000001588    0.000000105   -0.000000073
      9        6           0.000003986    0.000008426   -0.000012746
     10        1           0.000000282   -0.000001552   -0.000000180
     11        1          -0.000001722    0.000000341   -0.000002301
     12        1          -0.000002370   -0.000001661    0.000003548
     13        1          -0.000000349   -0.000000518   -0.000000156
     14        1          -0.000001946    0.000000020    0.000002611
     15        1          -0.000000646    0.000000631    0.000000044
     16        1           0.000000004    0.000000175    0.000000843
     17        1          -0.000000034   -0.000000195    0.000000685
     18        1          -0.000000475    0.000000588   -0.000000512
     19        1           0.000001453    0.000000154    0.000000918
     20        1           0.000002716   -0.000001807    0.000002516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012746 RMS     0.000003918
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136206D+03  0.158151D+00  0.127914D+01
      2   0.158151D+00  0.109635D+03  0.593351D+01
      3   0.127914D+01  0.593351D+01  0.798221D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.194929D+01  0.157983D+01  0.121158D+00
      2   0.381538D+01  0.139948D+02 -0.134438D+02
      3  -0.371950D+01 -0.308091D+02 -0.126954D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.662534D+02  0.495919D+01  0.261171D+01
      2  -0.177182D+02 -0.548993D+01 -0.706213D+01
      3  -0.485352D+02  0.530737D+00  0.445042D+01
      4  -0.540732D+01  0.599636D+02  0.344694D+02
      5   0.192907D+02  0.355732D+02 -0.363175D+02
      6   0.145806D+02  0.491243D+01 -0.391122D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.407186D+01 -0.641942D+00 -0.164111D+00  0.502990D+01  0.340913D+00
      2  -0.641942D+00  0.242705D+01 -0.240811D+00  0.340913D+00  0.126484D+01
      3  -0.164111D+00 -0.240811D+00  0.775168D+00 -0.433027D+00 -0.117700D+01
                 6             7             8             9            10 
      1  -0.433027D+00  0.808075D+00 -0.797021D+00  0.194308D+01  0.374257D+01
      2  -0.117700D+01 -0.797021D+00 -0.144376D+01  0.354841D+01 -0.462340D+00
      3   0.182987D+01  0.194308D+01  0.354841D+01  0.270927D+01  0.182827D+00
                11            12            13            14            15 
      1  -0.462340D+00  0.182827D+00  0.801924D+01 -0.111805D-01  0.220468D+00
      2  -0.345185D+01 -0.602216D+00 -0.111805D-01  0.167848D+01 -0.818418D+00
      3  -0.602216D+00 -0.189509D+01  0.220468D+00 -0.818418D+00  0.139263D+01
                16            17            18            19            20 
      1   0.266298D+01 -0.184697D-01 -0.180933D+01 -0.178276D+02 -0.234596D+01
      2  -0.184697D-01 -0.151056D+01  0.289950D+01 -0.234596D+01 -0.230750D+01
      3  -0.180933D+01  0.289950D+01  0.139845D+01  0.396671D+00  0.167208D+00
                21            22            23            24            25 
      1   0.396671D+00 -0.294724D+01  0.106925D+01  0.151331D+01 -0.557305D+00
      2   0.167208D+00  0.106925D+01 -0.481663D+00 -0.327665D+00  0.139249D+01
      3  -0.218137D+01  0.151331D+01 -0.327665D+00  0.891846D-01 -0.398868D+01
                26            27            28            29            30 
      1   0.139249D+01 -0.398868D+01  0.505737D+01  0.245076D+01  0.682803D+00
      2  -0.640356D+00 -0.553039D+00  0.245076D+01 -0.244117D+01 -0.165743D+00
      3  -0.553039D+00 -0.763477D+00  0.682803D+00 -0.165743D+00 -0.117055D+01
                31            32            33            34            35 
      1  -0.670300D+01 -0.558146D+00  0.298402D+00 -0.935998D+00  0.102100D+01
      2  -0.558146D+00 -0.182454D+01  0.116431D+01  0.102100D+01  0.125920D+01
      3   0.298402D+00  0.116431D+01 -0.149816D+01 -0.853812D+00 -0.321667D+01
                36            37            38            39            40 
      1  -0.853812D+00 -0.252988D+01 -0.765434D+00 -0.373485D+00 -0.566426D+01
      2  -0.321667D+01 -0.765434D+00  0.273141D+01  0.862209D+00 -0.705812D+00
      3  -0.285379D+01 -0.373485D+00  0.862209D+00  0.183761D+01 -0.100096D+01
                41            42            43            44            45 
      1  -0.705812D+00 -0.100096D+01 -0.166204D+01 -0.770209D+00  0.294731D+01
      2  -0.978569D+00  0.140863D+01 -0.770209D+00  0.191445D+01 -0.298115D+01
      3   0.140863D+01 -0.167434D+01  0.294731D+01 -0.298115D+01 -0.174042D+01
                46            47            48            49            50 
      1   0.591704D+01  0.451364D+00 -0.449027D+00  0.102938D+01 -0.483683D+00
      2   0.451364D+00  0.321622D+01  0.743665D-01 -0.483683D+00  0.201694D+00
      3  -0.449027D+00  0.743665D-01  0.285465D+01 -0.144909D+01 -0.640657D+00
                51            52            53            54            55 
      1  -0.144909D+01 -0.954126D-01 -0.145681D+01  0.522553D+01  0.425433D+01
      2  -0.640657D+00 -0.145681D+01  0.123094D-01  0.389937D+00  0.596833D+00
      3   0.250577D-01  0.522553D+01  0.389937D+00  0.987194D+00 -0.104129D+01
                56            57            58            59            60 
      1   0.596833D+00 -0.104129D+01  0.500099D+00  0.192975D+01 -0.248930D+01
      2   0.110709D+01 -0.105552D+01  0.192975D+01  0.553740D+01  0.351814D+01
      3  -0.105552D+01  0.246452D+01 -0.248930D+01  0.351814D+01  0.669501D+00
                61            62            63            64            65 
      1  -0.531737D+01 -0.199394D+01  0.451429D+01  0.681213D+01  0.125866D+01
      2  -0.199394D+01  0.360332D+01  0.268030D+01  0.125866D+01 -0.801761D+00
      3   0.451429D+01  0.268030D+01 -0.167822D+01  0.128446D+01  0.477428D+00
                66            67            68            69            70 
      1   0.128446D+01  0.315365D+01 -0.163394D+01  0.126753D+01  0.150202D+01
      2   0.477428D+00 -0.163394D+01  0.579680D+00 -0.176817D+01  0.345974D+00
      3  -0.186972D+01  0.126753D+01 -0.176817D+01 -0.645681D+00 -0.177835D+01
                71            72            73            74            75 
      1   0.345974D+00 -0.177835D+01  0.890870D+01  0.199459D+01 -0.985617D-01
      2  -0.292101D+00 -0.132497D+01  0.199459D+01 -0.203412D+01  0.108887D+01
      3  -0.132497D+01  0.499020D+01 -0.985617D-01  0.108887D+01 -0.269185D+01
                76            77            78            79            80 
      1   0.159285D+01 -0.179544D+01  0.158184D+01  0.522130D+01  0.180877D+01
      2  -0.179544D+01  0.295957D+00 -0.423537D+01  0.180877D+01 -0.284187D+01
      3   0.158184D+01 -0.423537D+01 -0.115836D+01 -0.401064D+01 -0.170360D+01
                81            82            83            84            85 
      1  -0.401064D+01 -0.125681D+02  0.822052D+00 -0.250425D+01 -0.405217D-01
      2  -0.170360D+01  0.822052D+00 -0.963967D+00  0.439451D+00 -0.456199D+00
      3   0.123499D+01 -0.250425D+01  0.439451D+00 -0.192026D+01  0.239552D+00
                86            87            88            89            90 
      1  -0.456199D+00  0.239552D+00 -0.264155D+00  0.246649D+00 -0.815588D+00
      2   0.606278D+00  0.112964D+00  0.246649D+00  0.425814D+00  0.212280D+00
      3   0.112964D+00  0.287631D-01 -0.815588D+00  0.212280D+00 -0.513896D+00
                91            92            93            94            95 
      1   0.472759D-01 -0.121439D+01 -0.477695D+00 -0.269248D+01 -0.138657D+01
      2  -0.121439D+01 -0.125409D+01 -0.243613D+00 -0.138657D+01 -0.676180D+01
      3  -0.477695D+00 -0.243613D+00 -0.892961D+00 -0.325012D+00 -0.200298D+01
                96            97            98            99           100 
      1  -0.325012D+00 -0.674248D+00 -0.251492D+00 -0.113799D+01 -0.376898D+00
      2  -0.200298D+01 -0.251492D+00 -0.306822D+01 -0.201448D+01  0.459737D+00
      3  -0.201691D+01 -0.113799D+01 -0.201448D+01 -0.181084D+01  0.348937D+00
               101           102           103           104           105 
      1   0.459737D+00  0.348937D+00  0.181480D+01 -0.453067D-01 -0.806054D+00
      2   0.380119D+00  0.198337D-01 -0.453067D-01  0.316200D+01  0.220873D+01
      3   0.198337D-01  0.826261D+00 -0.806054D+00  0.220873D+01  0.349193D+01
               106           107           108           109           110 
      1   0.826565D+00 -0.208313D+00 -0.113506D+00  0.316393D+00 -0.957191D+00
      2  -0.208313D+00  0.194667D+01  0.156627D+01 -0.957191D+00  0.146746D+01
      3  -0.113506D+00  0.156627D+01  0.355772D+01  0.478853D+00 -0.966007D+00
               111           112           113           114           115 
      1   0.478853D+00 -0.171304D+01  0.457284D+00 -0.149174D+00  0.386819D+00
      2  -0.966007D+00  0.457284D+00 -0.448793D+01  0.273783D+01 -0.357245D+00
      3   0.162303D+01 -0.149174D+00  0.273783D+01 -0.262712D+01  0.424041D+00
               116           117           118           119           120 
      1  -0.357245D+00  0.424041D+00 -0.134314D+02 -0.208059D+01  0.181379D+01
      2   0.194978D+01 -0.166328D+01 -0.208059D+01 -0.134326D+01  0.383262D+00
      3  -0.166328D+01  0.257261D+01  0.181379D+01  0.383262D+00 -0.169491D+01
               121           122           123           124           125 
      1  -0.201901D+01 -0.146422D+01  0.172483D+00 -0.100843D+01 -0.225405D+00
      2  -0.146422D+01 -0.854735D+00  0.623067D+00 -0.225405D+00  0.633507D-01
      3   0.172483D+00  0.623067D+00 -0.261082D+00 -0.745309D+00 -0.301686D-01
               126           127           128           129           130 
      1  -0.745309D+00 -0.168022D+01 -0.162687D+01 -0.520412D+00 -0.162887D+01
      2  -0.301686D-01 -0.162687D+01 -0.210863D+01 -0.616799D+00 -0.192461D+01
      3  -0.324846D-01 -0.520412D+00 -0.616799D+00 -0.420578D+00 -0.518003D+00
               131           132           133           134           135 
      1  -0.192461D+01 -0.518003D+00 -0.688790D+00 -0.693987D+00 -0.122723D+00
      2  -0.787630D+01 -0.202282D+01 -0.693987D+00 -0.219655D+01 -0.674589D+00
      3  -0.202282D+01 -0.145838D+01 -0.122723D+00 -0.674589D+00 -0.459177D+00
               136           137           138           139           140 
      1   0.488549D+01 -0.376390D+01 -0.723959D+00 -0.374833D+01  0.431648D+01
      2  -0.376390D+01  0.349134D+01  0.540304D+00  0.431648D+01 -0.639655D+01
      3  -0.723959D+00  0.540304D+00  0.704223D+00  0.941837D+00 -0.119819D+01
               141           142           143           144           145 
      1   0.941837D+00 -0.716820D+00  0.817664D+00  0.226687D+00  0.131328D+02
      2  -0.119819D+01  0.817664D+00 -0.145266D+01 -0.305069D+00  0.117766D+01
      3  -0.105317D+01  0.226687D+00 -0.305069D+00 -0.249424D+00  0.978925D+00
               146           147           148           149           150 
      1   0.117766D+01  0.978925D+00  0.111182D+01  0.161691D+01  0.478127D+00
      2   0.965878D+00  0.568130D-01  0.161691D+01  0.453419D+00  0.148191D+00
      3   0.568130D-01  0.106709D+01  0.478127D+00  0.148191D+00  0.159440D+00
               151           152           153           154           155 
      1   0.100326D+01  0.464522D+00  0.887641D-01  0.231117D+01  0.257219D+01
      2   0.464522D+00  0.137420D+00  0.295913D-01  0.257219D+01  0.277730D+01
      3   0.887641D-01  0.295913D-01  0.154325D+00  0.730384D+00  0.710270D+00
               156           157           158           159           160 
      1   0.730384D+00  0.239269D+01  0.367764D+01  0.959094D+00  0.808457D+00
      2   0.710270D+00  0.367764D+01  0.896369D+01  0.211559D+01  0.107339D+01
      3   0.580908D+00  0.959094D+00  0.211559D+01  0.148154D+01  0.324593D+00
               161           162           163           164           165 
      1   0.107339D+01  0.324593D+00 -0.363309D+01  0.205981D+01  0.928198D-01
      2   0.230553D+01  0.599806D+00  0.205981D+01 -0.247553D+01 -0.306070D+00
      3   0.599806D+00  0.416410D+00  0.928198D-01 -0.306070D+00 -0.491874D+00
               166           167           168           169           170 
      1   0.249210D+01 -0.260222D+01 -0.498083D+00  0.213403D+00 -0.493837D+00
      2  -0.260222D+01  0.554443D+01  0.872983D+00 -0.493837D+00  0.112777D+01
      3  -0.498083D+00  0.872983D+00  0.964238D+00 -0.803874D-01  0.275942D+00
               171           172           173           174           175 
      1  -0.803874D-01  0.733776D+00  0.149549D-01 -0.637683D+00  0.202188D-01
      2   0.275942D+00  0.149549D-01  0.618005D+00 -0.623239D+00 -0.340913D+00
      3   0.293483D+00 -0.637683D+00 -0.623239D+00  0.249571D+01 -0.393803D-02
               176           177           178           179           180 
      1  -0.340913D+00 -0.393803D-02 -0.151231D+01  0.962744D-01 -0.237993D+00
      2   0.137423D+01 -0.719157D+00  0.962744D-01 -0.129952D+01  0.226498D+01
      3  -0.719157D+00  0.226107D+01 -0.237993D+00  0.226498D+01 -0.821293D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.188156D-02  0.110172D+01 -0.204111D+01  0.168162D+01  0.785658D-01
      2  -0.707629D+00  0.283427D+01  0.364882D+00  0.139414D+01 -0.348883D+01
      3   0.238704D+01 -0.124514D+02 -0.246631D+01  0.338850D+01 -0.133878D+01
                 6             7             8             9            10 
      1  -0.318419D+01 -0.495643D+01  0.911393D+00 -0.110500D+01 -0.441680D+00
      2   0.475312D+01 -0.831616D+01  0.853200D+01  0.454149D+01  0.146409D+01
      3   0.209571D+01 -0.693577D+00  0.298416D+01 -0.444508D+01  0.110974D+01
                11            12            13            14            15 
      1  -0.309982D+00  0.293670D+01 -0.709519D+00  0.183314D+00 -0.215033D+01
      2   0.351910D+00 -0.141007D+01  0.426347D+01  0.938109D+00  0.794985D+00
      3   0.114298D+01  0.128656D+01  0.256986D+01 -0.718178D+01  0.763170D+00
                16            17            18            19            20 
      1   0.671697D+01  0.312289D+01  0.283372D+00 -0.129350D+01 -0.450096D+00
      2  -0.120283D+02 -0.119194D+00  0.678302D+00 -0.370801D+01 -0.127792D+01
      3  -0.107164D+01  0.184171D+00 -0.578017D+01  0.488639D+00  0.794799D+01
                21            22            23            24            25 
      1   0.178430D+00 -0.119692D+01 -0.386263D+01  0.824971D+00 -0.265029D+00
      2  -0.210151D+01 -0.126192D+01  0.631281D+00  0.948937D-01 -0.150330D+02
      3   0.105048D+01  0.172287D+02  0.227247D+01 -0.185457D+01 -0.312424D+00
                26            27            28            29            30 
      1   0.981670D+01  0.267523D+01  0.243011D+00  0.165641D+01 -0.225132D+01
      2   0.621325D+00 -0.144250D+00  0.387894D+01  0.160880D+01 -0.944723D+00
      3  -0.943506D+00  0.220509D+00 -0.563073D+01 -0.282409D+01 -0.229885D+01
                31            32            33            34            35 
      1   0.100438D+01  0.820358D+00 -0.251261D+01 -0.506695D+01  0.117926D+01
      2   0.192500D+01 -0.760837D+00 -0.132980D+01 -0.136073D+02 -0.145667D+01
      3   0.324207D+01  0.654220D+01  0.109335D+00 -0.276626D+01 -0.760932D+00
                36            37            38            39            40 
      1  -0.617612D+00 -0.498577D+00 -0.115739D+01  0.296382D+01 -0.163921D+01
      2  -0.263831D+01 -0.116759D+01  0.190172D+01  0.269264D+01 -0.113618D+01
      3   0.512284D+01  0.370838D+01 -0.101737D+02 -0.213725D+01  0.698233D+01
                41            42            43            44            45 
      1  -0.336873D+00 -0.208303D+01  0.687341D+01  0.344388D+01  0.120333D+01
      2   0.373282D+01 -0.539808D+01 -0.386180D+01 -0.938355D+01 -0.484473D+01
      3   0.207924D+01 -0.242894D+01  0.147818D+00 -0.368058D+01  0.383377D+01
                46            47            48            49            50 
      1   0.354615D+00 -0.464187D+00 -0.101818D+01 -0.866364D+00 -0.295801D+01
      2   0.358553D+00 -0.399873D+00  0.797796D+01 -0.505739D+01 -0.621585D-02
      3  -0.232326D+01 -0.709783D+01  0.205991D+00  0.109817D+02 -0.190289D+01
                51            52            53            54            55 
      1   0.203873D+01 -0.213800D+01  0.108486D+02  0.316208D+01 -0.842300D+00
      2   0.871332D+00  0.770431D+01  0.196021D+01  0.253403D+01  0.308036D+01
      3   0.124432D+01  0.434248D+01  0.938818D+00 -0.392403D+00 -0.482232D+00
                56            57            58            59            60 
      1  -0.114974D+01 -0.120402D+01  0.316502D+01  0.372557D+01  0.116205D+01
      2   0.100852D+01 -0.257152D+01  0.262356D+01 -0.737972D+01 -0.138746D+01
      3   0.250080D-01  0.995454D+00  0.748865D+01  0.664037D+01  0.732894D+01
                61            62            63            64            65 
      1   0.273967D+01  0.346156D+01 -0.196052D+01 -0.245067D+01  0.262744D+01
      2  -0.145797D+02 -0.650905D+01  0.252530D+01  0.223375D+01 -0.106006D+01
      3  -0.520367D-01  0.126035D+02  0.381339D+01  0.164210D+02 -0.767339D+01
                66            67            68            69            70 
      1   0.290807D+01  0.110322D+00 -0.236971D+01 -0.163313D+01 -0.827562D+00
      2   0.975055D+01  0.637173D+00  0.256818D+01  0.213125D+01  0.102499D+01
      3   0.451683D+01  0.298938D+01  0.303825D+01 -0.413921D+01  0.225940D+01
                71            72            73            74            75 
      1   0.704210D+01 -0.743869D+01  0.365065D+01 -0.307193D+01 -0.184157D+00
      2   0.497752D+01 -0.136123D+02 -0.129126D+02 -0.555491D+01  0.106166D+02
      3  -0.171233D+01 -0.530882D+01  0.461036D+00 -0.999739D+01  0.177720D+01
                76            77            78            79            80 
      1  -0.811391D+00 -0.133893D+01 -0.111916D+02 -0.125914D+01 -0.602077D+01
      2  -0.564450D+01  0.137593D+02  0.168851D+01  0.722991D+01  0.312026D+01
      3  -0.286493D+01  0.248259D+01 -0.140828D+02  0.806203D+00 -0.125510D+02
                81            82            83            84            85 
      1  -0.887437D+00  0.235515D+01  0.112731D+01  0.155690D+01 -0.581310D+00
      2   0.137735D+01 -0.418267D+01 -0.152553D+00  0.569316D+01 -0.110647D+01
      3  -0.171111D+01 -0.117144D+02 -0.524588D+01 -0.198853D+01 -0.813390D+00
                86            87            88            89            90 
      1  -0.317037D+00 -0.664663D+00 -0.247432D+00  0.160753D+00  0.211955D-02
      2  -0.538393D+00  0.922538D+00  0.475171D+00  0.146977D+00  0.851704D+00
      3   0.985767D+00  0.103980D+01  0.275698D-01  0.819361D+00 -0.205583D+00
                91            92            93            94            95 
      1  -0.742424D+00 -0.596835D-01 -0.820655D+00 -0.102656D+01 -0.113175D+00
      2   0.107335D+01  0.299353D+00  0.246306D+01 -0.994210D+00  0.369680D+01
      3  -0.338616D+01 -0.250522D+01 -0.336881D+00  0.394634D+01 -0.123355D+02
                96            97            98            99           100 
      1  -0.475638D+01 -0.911094D+00  0.411213D+00 -0.213543D+01  0.148924D+01
      2   0.362655D+01 -0.130965D+00  0.295827D+01  0.298248D+01 -0.158864D+01
      3  -0.360719D+01  0.156661D+01 -0.610263D+01 -0.288946D+01  0.220970D+01
               101           102           103           104           105 
      1   0.141683D+01  0.241228D+00  0.545752D+00  0.782130D+01  0.351969D+01
      2  -0.943824D+00 -0.182193D+01 -0.182294D+01 -0.639962D+01 -0.803755D+01
      3   0.106018D+01  0.346205D-01  0.193296D+01  0.895229D+01  0.643242D+01
               106           107           108           109           110 
      1  -0.388901D+00  0.593708D+01  0.435787D+01 -0.162031D+01  0.229800D+01
      2  -0.250594D+01 -0.403471D+01 -0.830776D+01 -0.318276D+01  0.331902D+01
      3  -0.358322D+00  0.547126D+01  0.456528D+01 -0.426414D+01  0.426366D+01
               111           112           113           114           115 
      1   0.654883D+00  0.126534D+01 -0.524097D+01 -0.335074D-01  0.347613D+00
      2  -0.343067D+01  0.384924D+01 -0.792518D+01  0.640960D+01 -0.342347D+01
      3  -0.224475D+01  0.551063D+01 -0.111979D+02  0.692976D+01 -0.139577D+01
               116           117           118           119           120 
      1   0.359049D+01 -0.240362D-01 -0.118532D+01 -0.214468D+01 -0.142336D+01
      2   0.462146D+01 -0.632584D+01  0.103038D+02  0.119324D+01  0.674672D+01
      3   0.519457D+01 -0.481107D+01  0.328760D+01 -0.600695D+01  0.155308D+00
               121           122           123           124           125 
      1  -0.153119D+01 -0.468500D+00 -0.187094D+00 -0.827348D+00  0.107888D+01
      2   0.191051D+01 -0.476099D+00  0.954294D+00  0.100734D+01 -0.106428D+00
      3  -0.151558D+01 -0.163718D+01  0.173149D+01 -0.108296D+00  0.124217D+01
               126           127           128           129           130 
      1  -0.298594D+00  0.125835D+00  0.360543D+00 -0.160142D+01  0.145229D+00
      2   0.834552D+00 -0.183419D+01 -0.107379D+01 -0.409361D-02 -0.172851D+01
      3   0.784331D+00  0.654754D+01  0.314386D+01  0.123707D+01  0.702040D+01
               131           132           133           134           135 
      1   0.890650D+00 -0.415572D+01  0.542086D+00  0.229802D+01 -0.669767D+00
      2  -0.225333D+01 -0.820845D-01 -0.213242D+01 -0.715009D+00  0.472904D-01
      3   0.815966D+01  0.249907D+01  0.241694D+01  0.229260D+01  0.517588D+00
               136           137           138           139           140 
      1   0.176732D+00 -0.654701D+00  0.232411D+01  0.284167D+00  0.313919D+00
      2   0.675686D-02  0.100387D+00  0.301776D+01  0.904730D+00 -0.165173D+01
      3   0.153961D+01 -0.510271D+01 -0.314175D+00 -0.314377D+01  0.107625D+02
               141           142           143           144           145 
      1  -0.342166D+01 -0.916865D+00  0.165751D+01 -0.429571D+00 -0.143676D+00
      2  -0.369520D+01 -0.828597D+00  0.384697D+00 -0.609246D+00  0.117531D+01
      3   0.155066D+01 -0.103139D+01  0.255710D+01  0.336576D+00 -0.470677D+00
               146           147           148           149           150 
      1   0.381145D+00 -0.614566D+00  0.218405D-02 -0.222920D-02 -0.424772D+00
      2  -0.817175D-01  0.657756D+01  0.171590D+01  0.357841D+00  0.894120D+00
      3  -0.564711D+01  0.151012D+00 -0.359915D+01 -0.124567D+01 -0.364906D+00
               151           152           153           154           155 
      1   0.391578D+00  0.601402D+00 -0.230477D-01 -0.212457D+00  0.175114D+00
      2  -0.268507D+01 -0.160310D+00  0.460973D+00  0.311278D+00  0.642811D+00
      3  -0.148363D+01 -0.767600D+00 -0.376355D-01 -0.747139D+00 -0.281261D+01
               156           157           158           159           160 
      1  -0.174666D+01 -0.230444D+00  0.554231D+00 -0.451145D+01  0.567200D+00
      2   0.177746D+01  0.566015D+00  0.301949D+01  0.367903D+01 -0.615562D+00
      3  -0.492410D+00 -0.109518D+01 -0.130438D+02 -0.277375D+01 -0.350905D+00
               161           162           163           164           165 
      1   0.202371D+01 -0.713219D+00  0.869539D+00 -0.916918D+00  0.233102D+01
      2   0.260716D+00  0.908173D+00  0.239486D+01 -0.867812D+00  0.485664D+00
      3  -0.347172D+01 -0.747150D+00 -0.103728D+02  0.355714D+01 -0.171266D+00
               166           167           168           169           170 
      1  -0.130706D+00  0.530355D-01 -0.325425D+01 -0.770556D-01  0.196245D+01
      2  -0.100799D+01  0.122908D+01 -0.104865D+01 -0.179450D+01  0.468573D+00
      3   0.715036D+01 -0.467401D+01 -0.111390D+01 -0.120446D+00 -0.123626D+01
               171           172           173           174           175 
      1  -0.323010D+00  0.168026D+00 -0.765192D+00 -0.318971D+01 -0.119744D+00
      2  -0.419524D+00  0.364249D+01  0.111901D+01 -0.596806D+01 -0.296147D-01
      3  -0.156875D+00  0.115224D+01  0.158096D+01 -0.192466D+01  0.704222D+00
               176           177           178           179           180 
      1  -0.399452D+00 -0.329254D+01 -0.217742D+00  0.128936D+01  0.790651D+01
      2   0.947092D+00 -0.584141D+01 -0.400306D+01 -0.564668D+01  0.185208D+02
      3   0.272175D+01 -0.719881D+00 -0.182231D+01 -0.306115D+01  0.729107D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.813053D+01 -0.208263D+02 -0.310319D+01  0.205832D+02  0.116339D+02
      2  -0.757182D+01  0.136587D+02  0.767060D+00 -0.179604D+02 -0.142932D+02
      3  -0.558716D+00  0.716760D+01  0.233613D+01 -0.262277D+01  0.265935D+01
      4  -0.148971D+02 -0.572602D+01 -0.351839D+01  0.108003D+02 -0.207599D+01
      5  -0.624331D+01 -0.159162D+01 -0.266044D+01 -0.238192D-02 -0.760741D+01
      6  -0.469654D+01 -0.116472D+01  0.408006D+01 -0.576989D+01 -0.117328D+02
                 6             7             8             9            10 
      1   0.396041D+01  0.494617D+01  0.110306D+01 -0.579384D+01  0.163784D+00
      2  -0.725739D+01 -0.839277D+01 -0.949591D+01 -0.533346D+01 -0.719793D+00
      3   0.329698D+01  0.344660D+01  0.839285D+01  0.111273D+02  0.556009D+00
      4  -0.721268D+01 -0.319414D+01 -0.104235D+02  0.130262D+02  0.100947D+02
      5   0.969873D+01  0.125646D+02  0.132135D+02  0.990053D+01  0.358658D+01
      6   0.444025D+01  0.518169D+01  0.131096D+02  0.319628D+01  0.232225D+01
                11            12            13            14            15 
      1   0.165782D+02  0.467090D+01 -0.417645D+01  0.101459D+01  0.467686D+01
      2  -0.119413D+02  0.612499D+00  0.114115D+02 -0.355309D+01 -0.324149D+01
      3  -0.463688D+01 -0.528340D+01 -0.723500D+01  0.253850D+01 -0.143537D+01
      4  -0.103504D+02 -0.624076D+00  0.336410D+01  0.133078D+02  0.290147D+01
      5  -0.166108D+01 -0.210467D+01  0.369250D+01  0.267963D+01  0.460097D-01
      6  -0.989297D+00 -0.607691D+01  0.832882D+01 -0.544518D+01  0.455998D+01
                16            17            18            19            20 
      1  -0.171907D+01  0.517013D+01 -0.135541D+02 -0.195260D+02 -0.268969D+01
      2   0.747071D+01 -0.724549D+01  0.139379D+01  0.512342D+01  0.249788D+01
      3  -0.575164D+01  0.207536D+01  0.121603D+02  0.144026D+02  0.191810D+00
      4   0.263171D+01  0.112861D+01  0.356730D+01  0.553334D+01  0.809562D+00
      5   0.317221D+01  0.239209D+01 -0.149706D+00 -0.849095D+01 -0.121865D+01
      6  -0.271995D+01  0.103538D+02  0.109928D+00 -0.389898D+01  0.339538D+00
                21            22            23            24            25 
      1  -0.352437D+01  0.115951D+01 -0.877953D+01 -0.159461D+01 -0.538274D+01
      2  -0.449089D+00 -0.326491D+01  0.143949D+02  0.788301D+01 -0.132907D+01
      3   0.397346D+01  0.210539D+01 -0.561541D+01 -0.628840D+01  0.671181D+01
      4  -0.645952D+00 -0.816139D+01 -0.203778D+01  0.138559D+01 -0.589182D+01
      5  -0.306015D+00 -0.612815D+01  0.142549D+01 -0.482220D+00  0.597713D+01
      6   0.137435D+01 -0.285098D+01  0.607862D+01 -0.839114D+00  0.180026D+00
                26            27            28            29            30 
      1  -0.233022D+01 -0.802218D+01  0.127934D+02 -0.106531D+02 -0.301605D+00
      2   0.442669D+01 -0.289987D+01 -0.836747D+01  0.788781D+01 -0.149235D+01
      3  -0.209647D+01  0.109220D+02 -0.442591D+01  0.276524D+01  0.179396D+01
      4   0.237984D+01  0.152070D+01 -0.714291D+01 -0.175297D+02 -0.389651D+01
      5   0.112221D+01 -0.779488D+00  0.189761D+01 -0.267891D+01 -0.476439D+01
      6   0.718896D+01 -0.333513D+01 -0.183390D+01 -0.183257D+01  0.456151D+01
                31            32            33            34            35 
      1   0.655373D+00  0.806166D+01  0.543733D+01  0.258930D+01  0.419642D+01
      2  -0.836360D+01 -0.107689D+02 -0.787362D+01 -0.475593D+01 -0.113345D+02
      3   0.770823D+01  0.270726D+01  0.243629D+01  0.216663D+01  0.713807D+01
      4   0.105325D+02 -0.130518D+02 -0.232503D+01 -0.932956D+00 -0.288029D+01
      5  -0.645886D+00 -0.266580D+01 -0.898078D+00  0.329511D+01 -0.564750D+01
      6  -0.589854D+01 -0.106720D+02  0.275064D+01  0.145808D+01  0.118012D+02
                36            37            38            39            40 
      1  -0.151631D+02 -0.197504D+01  0.228669D+02  0.617372D+01 -0.266163D+02
      2  -0.690437D+00 -0.169981D+01 -0.144811D+02  0.199362D+00  0.249917D+02
      3   0.158536D+02  0.367485D+01 -0.838575D+01 -0.637308D+01  0.162454D+01
      4  -0.691178D+01  0.159787D+02  0.332140D+01  0.243166D+01  0.237938D+01
      5  -0.446179D+01  0.258939D+00  0.528346D+00  0.523860D+01 -0.593356D+01
      6   0.422601D+01  0.537638D+00 -0.153793D+01 -0.684811D+01  0.827497D+01
                41            42            43            44            45 
      1   0.431282D+01  0.108850D+01 -0.890582D+01  0.416530D+01  0.209555D+01
      2  -0.712472D+01 -0.138442D+01  0.112052D+02 -0.850145D+01 -0.859403D+01
      3   0.281189D+01  0.295913D+00 -0.229940D+01  0.433615D+01  0.649847D+01
      4   0.906915D+01  0.106497D+02 -0.197372D+01  0.979126D+01 -0.135210D+02
      5   0.897021D+01 -0.109764D+02  0.191222D+02 -0.137740D+02 -0.103395D+02
      6  -0.727281D+01  0.406977D+01 -0.584409D+01  0.112755D+02 -0.355210D+00
                46            47            48            49            50 
      1  -0.114789D+02 -0.350917D+01 -0.530719D+01  0.953077D+01 -0.199559D+02
      2   0.732656D+01  0.266305D+01  0.193523D+01 -0.803176D+01  0.175552D+02
      3   0.415238D+01  0.846114D+00  0.337196D+01 -0.149900D+01  0.240068D+01
      4  -0.203665D+01  0.224921D+02  0.569705D+00 -0.187284D+02 -0.374315D+01
      5  -0.397139D+01  0.261446D+00  0.183707D+02 -0.140532D+02 -0.124351D+01
      6   0.895391D+00  0.224723D+00  0.233578D+01 -0.330961D+01  0.469979D+01
                51            52            53            54            55 
      1  -0.867129D+01 -0.321079D+01 -0.916326D+01  0.132467D+02  0.112371D+02
      2   0.113282D+02 -0.852186D+00  0.650680D+01 -0.158979D+02 -0.282889D+01
      3  -0.265690D+01  0.406298D+01  0.265646D+01  0.265118D+01 -0.840818D+01
      4  -0.410090D+01 -0.145945D+02 -0.168639D+01  0.177113D+01  0.138203D+01
      5   0.153858D+01  0.346889D+02  0.289987D+01  0.553653D+01  0.551532D+01
      6  -0.335997D+01  0.123579D+01  0.678353D+01 -0.453888D+01  0.225511D+01
                56            57            58            59            60 
      1   0.184119D+00 -0.220755D+01  0.114641D+02  0.705868D+01  0.792167D+01
      2   0.374137D+01 -0.673948D+00 -0.795541D+01 -0.132547D+02 -0.175175D+02
      3  -0.392549D+01  0.288150D+01 -0.350864D+01  0.619599D+01  0.959588D+01
      4  -0.107690D+02  0.269064D+01 -0.112260D+02 -0.229395D+02 -0.166815D+02
      5   0.277413D+01 -0.147571D+02  0.173768D+02 -0.141235D+02  0.106574D-02
      6  -0.676807D+00 -0.512733D+00 -0.516281D+01 -0.125107D+02 -0.582365D+01
                61            62            63            64            65 
      1   0.485106D+01  0.671865D+01 -0.503754D+01 -0.352155D+02  0.687065D+00
      2  -0.106745D+02 -0.278439D+01  0.633439D+01  0.239193D+02 -0.590111D+01
      3   0.582342D+01 -0.393426D+01 -0.129685D+01  0.112962D+02  0.521404D+01
      4   0.144355D+02 -0.200184D+02 -0.128957D+02 -0.163105D+01  0.137761D+02
      5  -0.273591D+02 -0.124852D+02  0.706766D+01 -0.163233D+02 -0.345266D+00
      6  -0.744626D+01 -0.995377D+01  0.275617D+01 -0.988283D+00  0.138120D+01
                66            67            68            69            70 
      1  -0.101512D+02 -0.103746D+02 -0.429772D+01 -0.282266D+01 -0.885664D+01
      2   0.653220D+00  0.222202D+01  0.142911D+02 -0.208252D+01  0.207606D+01
      3   0.949799D+01  0.815255D+01 -0.999334D+01  0.490518D+01  0.678057D+01
      4   0.179460D+01  0.165790D+02 -0.789157D+01  0.108414D+02 -0.826494D+00
      5   0.123580D+02 -0.944905D+01  0.956331D+01  0.112642D+01  0.113349D+02
      6  -0.338083D+01  0.564948D+01 -0.416442D+01  0.645505D+01 -0.141423D+01
                71            72            73            74            75 
      1   0.644150D+00  0.154757D+02 -0.546743D+02 -0.158063D+02  0.990676D+01
      2  -0.956660D+01 -0.150813D+00  0.220211D+02  0.957457D+01 -0.135532D+01
      3   0.892245D+01 -0.153249D+02  0.326532D+02  0.623176D+01 -0.855144D+01
      4   0.389444D+01  0.232625D+01 -0.207641D+02  0.810661D+01 -0.285440D+01
      5   0.478688D+01 -0.154469D+02  0.139051D+02 -0.181556D+00  0.123918D+02
      6   0.465995D+01  0.860535D+01  0.405968D+01 -0.685170D+01  0.401031D+01
                76            77            78            79            80 
      1  -0.169505D+02  0.188019D+02 -0.442978D+01  0.825827D+00 -0.589962D+01
      2   0.914002D+01 -0.504923D+01  0.131737D+02  0.837723D+01  0.114539D+02
      3   0.781044D+01 -0.137527D+02 -0.874394D+01 -0.920305D+01 -0.555425D+01
      4   0.717822D+01  0.278577D+01  0.178177D+02 -0.885177D+01  0.132501D+02
      5  -0.382217D+01  0.132628D+02  0.799780D+01  0.234895D+02  0.108283D+02
      6  -0.376790D+01  0.364259D+01 -0.126377D+02  0.819626D+01 -0.788426D+01
                81            82            83            84            85 
      1   0.115322D+02  0.729644D+02 -0.261993D+01  0.103956D+02  0.404370D+01
      2  -0.118896D+02 -0.432920D+02  0.874170D+00 -0.980673D+01 -0.106721D+01
      3   0.357449D+00 -0.296724D+02  0.174576D+01 -0.588849D+00 -0.297649D+01
      4   0.111651D+02 -0.138019D+02  0.772544D+01 -0.377757D+01  0.495145D+01
      5  -0.118216D+02  0.299422D+02 -0.292060D+01  0.155306D+02 -0.137831D+01
      6  -0.536783D+01 -0.236971D+01  0.213388D+01 -0.260671D+01  0.180958D+01
                86            87            88            89            90 
      1   0.178373D+01 -0.222329D+01  0.301707D+01 -0.146892D+01  0.317385D+01
      2   0.703450D+00  0.172871D+01 -0.219875D+01  0.115208D+01 -0.342394D+01
      3  -0.248718D+01  0.494586D+00 -0.818326D+00  0.316837D+00  0.250091D+00
      4  -0.171185D+01  0.135408D+00 -0.260160D+01 -0.147243D+00 -0.130773D+01
      5  -0.586065D-01 -0.644549D+00  0.879471D+01 -0.152284D+01  0.460346D+01
      6  -0.191836D+00  0.127593D+01 -0.140799D+01  0.110888D+01 -0.865261D+00
                91            92            93            94            95 
      1   0.116668D+01  0.225742D+01  0.192084D+01  0.744886D+00 -0.138159D+02
      2   0.180980D+01 -0.723785D-01  0.579585D-01  0.208141D+01  0.220791D+02
      3  -0.297649D+01 -0.218504D+01 -0.197880D+01 -0.282629D+01 -0.826324D+01
      4   0.696311D+01  0.116588D+02  0.281549D+01  0.107231D+02  0.296376D+02
      5   0.263219D+01  0.275971D+01  0.706610D+01  0.247589D+01  0.746764D+01
      6   0.399389D+01  0.184652D+01  0.979601D+00  0.275120D+01  0.161872D+02
                96            97            98            99           100 
      1  -0.529242D+01  0.634163D+00 -0.695106D+01 -0.544571D+01  0.384813D+01
      2   0.749909D+01  0.112983D+01  0.552996D+01  0.182572D+01 -0.239073D+01
      3  -0.220667D+01 -0.176399D+01  0.142110D+01  0.361999D+01 -0.145740D+01
      4   0.850869D+01  0.254524D+01  0.137732D+02  0.863751D+01 -0.606191D+00
      5   0.824541D+01  0.760816D+01  0.775286D+01  0.688671D+01 -0.227830D+01
      6   0.103523D+02  0.296162D+01  0.128309D+02  0.898557D+01  0.185212D+01
               101           102           103           104           105 
      1  -0.140604D+01 -0.523216D+01 -0.563107D+01 -0.750352D+01 -0.596716D+01
      2   0.611217D+00  0.292504D+00  0.404199D+01  0.611690D-02 -0.671135D+01
      3   0.794821D+00  0.493965D+01  0.158907D+01  0.749740D+01  0.126785D+02
      4  -0.362615D+00  0.413642D+00  0.202945D+01 -0.158622D+02 -0.107226D+02
      5   0.161720D+01 -0.147189D+00  0.788464D+01 -0.892724D+01 -0.154574D+02
      6   0.164592D+01  0.315826D-01 -0.391205D+00  0.116189D+02  0.981439D+01
               106           107           108           109           110 
      1  -0.416865D+01 -0.387978D+01 -0.105289D+02 -0.110670D+01  0.933824D+01
      2   0.282933D+01 -0.508504D+01 -0.709054D+01  0.175775D+01 -0.651423D+01
      3   0.133932D+01  0.896482D+01  0.176195D+02 -0.651049D+00 -0.282401D+01
      4   0.833859D+00 -0.953197D+01 -0.791159D+01  0.164254D+01 -0.269637D+01
      5   0.472161D+01 -0.669736D+01 -0.141024D+02  0.490258D+00 -0.166653D+00
      6  -0.672284D+00  0.916307D+01  0.720008D+01 -0.332301D+01  0.638591D+01
               111           112           113           114           115 
      1  -0.802706D+01  0.965626D+01 -0.194882D+02  0.124533D+02 -0.416806D+01
      2   0.184907D+01 -0.546666D+01  0.169702D+02 -0.514141D+01  0.919981D+00
      3   0.617798D+01 -0.418960D+01  0.251808D+01 -0.731190D+01  0.324808D+01
      4   0.152028D+01  0.284665D+01  0.159585D+02 -0.101155D+02  0.127273D-02
      5  -0.272535D+01 -0.460664D+01 -0.754719D+01  0.804712D+01  0.240276D+01
      6  -0.538425D+01  0.184777D+01 -0.179760D+02  0.146885D+02 -0.217526D+01
               116           117           118           119           120 
      1   0.969767D+01 -0.133347D+02  0.817716D+02  0.101998D+02 -0.575012D+01
      2  -0.373008D+01  0.129325D+01 -0.408603D+02 -0.312579D+01  0.686100D+01
      3  -0.596759D+01  0.120415D+02 -0.409113D+02 -0.707396D+01 -0.111088D+01
      4  -0.721574D+01  0.510583D+01  0.246782D+02  0.147388D+02 -0.343162D+01
      5   0.441801D+01 -0.684935D+01 -0.291183D+02 -0.497152D+01  0.157298D+02
      6   0.125833D+02 -0.110572D+02 -0.498178D+01 -0.379137D+01  0.302297D+01
               121           122           123           124           125 
      1   0.954913D+01  0.527907D+01  0.408051D+00  0.443830D+01  0.826517D+00
      2  -0.277030D+01 -0.139793D+01 -0.431623D+00  0.350970D+00 -0.264119D+00
      3  -0.677883D+01 -0.388114D+01  0.235725D-01 -0.478927D+01 -0.562398D+00
      4   0.144691D+02  0.689367D+01 -0.331132D+01  0.156426D+01 -0.327171D+00
      5  -0.363086D+01 -0.426508D+01  0.199617D+01  0.846722D+01  0.623216D+00
      6  -0.264368D+01 -0.195308D+01  0.331400D+01  0.174856D+01  0.215550D+01
               126           127           128           129           130 
      1   0.462110D+01 -0.502906D+01 -0.858019D+01 -0.295466D+01 -0.747965D+01
      2  -0.341831D+01  0.606098D+01  0.100490D+02  0.202608D+01  0.876577D+01
      3  -0.120280D+01 -0.103192D+01 -0.146882D+01  0.928575D+00 -0.128611D+01
      4   0.129199D+01  0.354931D+01  0.679637D+01  0.143719D+01  0.533435D+01
      5  -0.133715D+01  0.118311D+01  0.126808D+01  0.166681D+01  0.113645D+01
      6  -0.617411D-01  0.248411D+01  0.391235D+01  0.277479D+01  0.305415D+01
               131           132           133           134           135 
      1  -0.312683D+02 -0.879674D+01 -0.231239D+01 -0.857734D+01 -0.366886D+01
      2   0.399994D+02  0.766271D+01  0.259232D+01  0.100507D+02  0.365213D+01
      3  -0.873101D+01  0.113403D+01 -0.279934D+00 -0.147338D+01  0.167317D-01
      4  -0.918265D+00 -0.643932D+00  0.152907D+01 -0.172425D+00  0.121159D+01
      5  -0.661792D+00 -0.162058D+00  0.109365D+01  0.421998D+00  0.614998D+00
      6   0.132878D+02  0.952219D+01  0.103657D+01  0.536188D+01  0.392540D+01
               136           137           138           139           140 
      1   0.216570D+02 -0.129778D+02 -0.267881D+01 -0.927302D+01  0.279092D+01
      2  -0.408952D+01 -0.136804D+01  0.961118D+00 -0.568219D+01  0.165209D+02
      3  -0.175674D+02  0.143459D+02  0.171769D+01  0.149552D+02 -0.193118D+02
      4  -0.324211D+02  0.299035D+02  0.465627D+01  0.330068D+02 -0.427144D+02
      5  -0.680211D+01  0.482654D+01  0.676465D+01  0.713327D+01 -0.826497D+01
      6   0.258242D+01 -0.228908D+01 -0.341097D+01 -0.446302D+01  0.623177D+01
               141           142           143           144           145 
      1   0.687540D+00 -0.120539D+01 -0.868801D-01 -0.373775D-01  0.984223D+02
      2   0.867068D+00 -0.123772D+01  0.317085D+01  0.905043D+00 -0.552558D+02
      3  -0.155461D+01  0.244311D+01 -0.308397D+01 -0.867666D+00 -0.431665D+02
      4  -0.779240D+01  0.633771D+01 -0.815500D+01 -0.322686D+01  0.128074D+02
      5  -0.678386D+01  0.287932D+01 -0.268463D+01 -0.187436D+01  0.942490D+01
      6   0.644918D+01 -0.192345D+01  0.283863D+01  0.215871D+01 -0.222671D+01
               146           147           148           149           150 
      1   0.817253D+01  0.616977D+01  0.678963D+01  0.926470D+01  0.199878D+01
      2  -0.395131D+01 -0.425089D+01 -0.297033D+01 -0.414135D+01 -0.167795D+01
      3  -0.422122D+01 -0.191888D+01 -0.381930D+01 -0.512336D+01 -0.320830D+00
      4   0.102568D+02  0.560630D+00  0.152492D+02  0.406031D+01  0.137906D+01
      5   0.520615D+00  0.112374D+02  0.393033D+01  0.150671D+01  0.150597D+01
      6   0.278971D+00  0.575220D+00  0.815910D+00 -0.117877D+00  0.158555D+01
               151           152           153           154           155 
      1   0.746375D+01  0.221039D+01  0.316745D+01  0.568037D+01  0.434962D+01
      2  -0.408290D+01 -0.121879D+01 -0.202769D+01  0.288885D+01  0.501103D+01
      3  -0.338086D+01 -0.991606D+00 -0.113976D+01 -0.856923D+01 -0.936065D+01
      4   0.420745D+01  0.159604D+01  0.788954D+00  0.184774D+02  0.228634D+02
      5   0.291792D+01  0.511275D+00  0.142397D+01  0.476312D+01  0.530979D+01
      6   0.135443D+00  0.641108D+00  0.510330D+00  0.355977D+01  0.410753D+01
               156           157           158           159           160 
      1   0.102079D+01 -0.353014D+00 -0.154305D+02 -0.388830D+01  0.281132D+00
      2   0.280956D+00  0.104777D+02  0.355908D+02  0.546185D+01  0.205537D+01
      3  -0.130175D+01 -0.101247D+02 -0.201602D+02 -0.157354D+01 -0.233650D+01
      4   0.544375D+01  0.241871D+02  0.450124D+02  0.103306D+02  0.658852D+01
      5   0.523243D+01  0.585317D+01  0.998729D+01  0.708945D+01  0.271177D+01
      6   0.314923D+01  0.567955D+01  0.135091D+02  0.983013D+01  0.245243D+01
               161           162           163           164           165 
      1  -0.334249D+01 -0.197113D+01 -0.416448D+01  0.684286D+01  0.124975D+01
      2   0.764804D+01  0.276489D+01  0.542872D+01 -0.944613D+01 -0.100497D+01
      3  -0.430555D+01 -0.793762D+00 -0.126425D+01  0.260327D+01 -0.244776D+00
      4   0.120233D+02  0.423654D+01 -0.824921D+01  0.679006D+01  0.721868D+00
      5   0.350137D+01  0.272766D+01 -0.187350D+00  0.790677D+00  0.144162D+01
      6   0.534214D+01  0.386173D+01  0.673183D+00 -0.176163D+01 -0.251429D+01
               166           167           168           169           170 
      1   0.773802D+01 -0.197462D+02 -0.377411D+01  0.145215D+01 -0.370172D+01
      2  -0.998218D+01  0.262211D+02  0.303983D+01 -0.192214D+01  0.438261D+01
      3   0.224416D+01 -0.647482D+01  0.734277D+00  0.469986D+00 -0.680891D+00
      4   0.747280D+01 -0.775565D+01 -0.102985D+01  0.117151D+01 -0.134007D+01
      5   0.972546D+00 -0.121240D+01 -0.144969D+01  0.109276D+01 -0.696671D+00
      6  -0.251381D+01  0.506331D+01  0.543147D+01 -0.109177D+01  0.249520D+01
               171           172           173           174           175 
      1  -0.113062D+01 -0.305680D+01 -0.219729D+01  0.943533D+01 -0.116542D+01
      2   0.158443D+01 -0.646130D-01  0.127160D+00  0.168448D+01  0.593718D+00
      3  -0.453811D+00  0.312141D+01  0.207013D+01 -0.111198D+02  0.571706D+00
      4  -0.198430D+01  0.601563D+00 -0.216967D+01 -0.373713D+00  0.321868D+01
      5  -0.124644D+01  0.109488D+01  0.101282D+01 -0.574123D+01 -0.805391D+00
      6   0.169899D+01 -0.896657D+00 -0.136146D+01  0.383941D+01 -0.160845D+00
               176           177           178           179           180 
      1  -0.280606D+01  0.487224D+01  0.857786D+01  0.671331D+01 -0.228391D+02
      2   0.143103D+01  0.258650D+01 -0.441385D+01  0.949081D+00 -0.115518D+02
      3   0.137503D+01 -0.745873D+01 -0.416401D+01 -0.766239D+01  0.343909D+02
      4  -0.586481D+01  0.126519D+01 -0.297909D+01  0.406137D+01 -0.689007D+01
      5   0.171443D+01 -0.104385D+02  0.723093D+01 -0.880522D+01  0.309263D+02
      6  -0.234892D+01  0.794320D+01  0.266968D+00  0.777988D+01 -0.157197D+02
 Leave Link  716 at Mon Aug 16 21:47:39 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136206D+03  0.158151D+00  0.127914D+01
      2   0.158151D+00  0.109635D+03  0.593351D+01
      3   0.127914D+01  0.593351D+01  0.798221D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.194929D+01  0.157983D+01  0.121158D+00
      2   0.381538D+01  0.139948D+02 -0.134438D+02
      3  -0.371950D+01 -0.308091D+02 -0.126954D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.662534D+02  0.495919D+01  0.261171D+01
      2  -0.177182D+02 -0.548993D+01 -0.706213D+01
      3  -0.485352D+02  0.530737D+00  0.445042D+01
      4  -0.540732D+01  0.599636D+02  0.344694D+02
      5   0.192907D+02  0.355732D+02 -0.363175D+02
      6   0.145806D+02  0.491243D+01 -0.391122D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.407186D+01 -0.641942D+00 -0.164111D+00  0.502990D+01  0.340913D+00
      2  -0.641942D+00  0.242705D+01 -0.240811D+00  0.340913D+00  0.126484D+01
      3  -0.164111D+00 -0.240811D+00  0.775168D+00 -0.433027D+00 -0.117700D+01
                 6             7             8             9            10 
      1  -0.433027D+00  0.808075D+00 -0.797021D+00  0.194308D+01  0.374257D+01
      2  -0.117700D+01 -0.797021D+00 -0.144376D+01  0.354841D+01 -0.462340D+00
      3   0.182987D+01  0.194308D+01  0.354841D+01  0.270927D+01  0.182827D+00
                11            12            13            14            15 
      1  -0.462340D+00  0.182827D+00  0.801924D+01 -0.111805D-01  0.220468D+00
      2  -0.345185D+01 -0.602216D+00 -0.111805D-01  0.167848D+01 -0.818418D+00
      3  -0.602216D+00 -0.189509D+01  0.220468D+00 -0.818418D+00  0.139263D+01
                16            17            18            19            20 
      1   0.266298D+01 -0.184697D-01 -0.180933D+01 -0.178276D+02 -0.234596D+01
      2  -0.184697D-01 -0.151056D+01  0.289950D+01 -0.234596D+01 -0.230750D+01
      3  -0.180933D+01  0.289950D+01  0.139845D+01  0.396671D+00  0.167208D+00
                21            22            23            24            25 
      1   0.396671D+00 -0.294724D+01  0.106925D+01  0.151331D+01 -0.557305D+00
      2   0.167208D+00  0.106925D+01 -0.481663D+00 -0.327665D+00  0.139249D+01
      3  -0.218137D+01  0.151331D+01 -0.327665D+00  0.891846D-01 -0.398868D+01
                26            27            28            29            30 
      1   0.139249D+01 -0.398868D+01  0.505737D+01  0.245076D+01  0.682803D+00
      2  -0.640356D+00 -0.553039D+00  0.245076D+01 -0.244117D+01 -0.165743D+00
      3  -0.553039D+00 -0.763477D+00  0.682803D+00 -0.165743D+00 -0.117055D+01
                31            32            33            34            35 
      1  -0.670300D+01 -0.558146D+00  0.298402D+00 -0.935998D+00  0.102100D+01
      2  -0.558146D+00 -0.182454D+01  0.116431D+01  0.102100D+01  0.125920D+01
      3   0.298402D+00  0.116431D+01 -0.149816D+01 -0.853812D+00 -0.321667D+01
                36            37            38            39            40 
      1  -0.853812D+00 -0.252988D+01 -0.765434D+00 -0.373485D+00 -0.566426D+01
      2  -0.321667D+01 -0.765434D+00  0.273141D+01  0.862209D+00 -0.705812D+00
      3  -0.285379D+01 -0.373485D+00  0.862209D+00  0.183761D+01 -0.100096D+01
                41            42            43            44            45 
      1  -0.705812D+00 -0.100096D+01 -0.166204D+01 -0.770209D+00  0.294731D+01
      2  -0.978569D+00  0.140863D+01 -0.770209D+00  0.191445D+01 -0.298115D+01
      3   0.140863D+01 -0.167434D+01  0.294731D+01 -0.298115D+01 -0.174042D+01
                46            47            48            49            50 
      1   0.591704D+01  0.451364D+00 -0.449027D+00  0.102938D+01 -0.483683D+00
      2   0.451364D+00  0.321622D+01  0.743665D-01 -0.483683D+00  0.201694D+00
      3  -0.449027D+00  0.743665D-01  0.285465D+01 -0.144909D+01 -0.640657D+00
                51            52            53            54            55 
      1  -0.144909D+01 -0.954126D-01 -0.145681D+01  0.522553D+01  0.425433D+01
      2  -0.640657D+00 -0.145681D+01  0.123094D-01  0.389937D+00  0.596833D+00
      3   0.250577D-01  0.522553D+01  0.389937D+00  0.987194D+00 -0.104129D+01
                56            57            58            59            60 
      1   0.596833D+00 -0.104129D+01  0.500099D+00  0.192975D+01 -0.248930D+01
      2   0.110709D+01 -0.105552D+01  0.192975D+01  0.553740D+01  0.351814D+01
      3  -0.105552D+01  0.246452D+01 -0.248930D+01  0.351814D+01  0.669501D+00
                61            62            63            64            65 
      1  -0.531737D+01 -0.199394D+01  0.451429D+01  0.681213D+01  0.125866D+01
      2  -0.199394D+01  0.360332D+01  0.268030D+01  0.125866D+01 -0.801761D+00
      3   0.451429D+01  0.268030D+01 -0.167822D+01  0.128446D+01  0.477428D+00
                66            67            68            69            70 
      1   0.128446D+01  0.315365D+01 -0.163394D+01  0.126753D+01  0.150202D+01
      2   0.477428D+00 -0.163394D+01  0.579680D+00 -0.176817D+01  0.345974D+00
      3  -0.186972D+01  0.126753D+01 -0.176817D+01 -0.645681D+00 -0.177835D+01
                71            72            73            74            75 
      1   0.345974D+00 -0.177835D+01  0.890870D+01  0.199459D+01 -0.985617D-01
      2  -0.292101D+00 -0.132497D+01  0.199459D+01 -0.203412D+01  0.108887D+01
      3  -0.132497D+01  0.499020D+01 -0.985617D-01  0.108887D+01 -0.269185D+01
                76            77            78            79            80 
      1   0.159285D+01 -0.179544D+01  0.158184D+01  0.522130D+01  0.180877D+01
      2  -0.179544D+01  0.295957D+00 -0.423537D+01  0.180877D+01 -0.284187D+01
      3   0.158184D+01 -0.423537D+01 -0.115836D+01 -0.401064D+01 -0.170360D+01
                81            82            83            84            85 
      1  -0.401064D+01 -0.125681D+02  0.822052D+00 -0.250425D+01 -0.405217D-01
      2  -0.170360D+01  0.822052D+00 -0.963967D+00  0.439451D+00 -0.456199D+00
      3   0.123499D+01 -0.250425D+01  0.439451D+00 -0.192026D+01  0.239552D+00
                86            87            88            89            90 
      1  -0.456199D+00  0.239552D+00 -0.264155D+00  0.246649D+00 -0.815588D+00
      2   0.606278D+00  0.112964D+00  0.246649D+00  0.425814D+00  0.212280D+00
      3   0.112964D+00  0.287631D-01 -0.815588D+00  0.212280D+00 -0.513896D+00
                91            92            93            94            95 
      1   0.472759D-01 -0.121439D+01 -0.477695D+00 -0.269248D+01 -0.138657D+01
      2  -0.121439D+01 -0.125409D+01 -0.243613D+00 -0.138657D+01 -0.676180D+01
      3  -0.477695D+00 -0.243613D+00 -0.892961D+00 -0.325012D+00 -0.200298D+01
                96            97            98            99           100 
      1  -0.325012D+00 -0.674248D+00 -0.251492D+00 -0.113799D+01 -0.376898D+00
      2  -0.200298D+01 -0.251492D+00 -0.306822D+01 -0.201448D+01  0.459737D+00
      3  -0.201691D+01 -0.113799D+01 -0.201448D+01 -0.181084D+01  0.348937D+00
               101           102           103           104           105 
      1   0.459737D+00  0.348937D+00  0.181480D+01 -0.453067D-01 -0.806054D+00
      2   0.380119D+00  0.198337D-01 -0.453067D-01  0.316200D+01  0.220873D+01
      3   0.198337D-01  0.826261D+00 -0.806054D+00  0.220873D+01  0.349193D+01
               106           107           108           109           110 
      1   0.826565D+00 -0.208313D+00 -0.113506D+00  0.316393D+00 -0.957191D+00
      2  -0.208313D+00  0.194667D+01  0.156627D+01 -0.957191D+00  0.146746D+01
      3  -0.113506D+00  0.156627D+01  0.355772D+01  0.478853D+00 -0.966007D+00
               111           112           113           114           115 
      1   0.478853D+00 -0.171304D+01  0.457284D+00 -0.149174D+00  0.386819D+00
      2  -0.966007D+00  0.457284D+00 -0.448793D+01  0.273783D+01 -0.357245D+00
      3   0.162303D+01 -0.149174D+00  0.273783D+01 -0.262712D+01  0.424041D+00
               116           117           118           119           120 
      1  -0.357245D+00  0.424041D+00 -0.134314D+02 -0.208059D+01  0.181379D+01
      2   0.194978D+01 -0.166328D+01 -0.208059D+01 -0.134326D+01  0.383262D+00
      3  -0.166328D+01  0.257261D+01  0.181379D+01  0.383262D+00 -0.169491D+01
               121           122           123           124           125 
      1  -0.201901D+01 -0.146422D+01  0.172483D+00 -0.100843D+01 -0.225405D+00
      2  -0.146422D+01 -0.854735D+00  0.623067D+00 -0.225405D+00  0.633507D-01
      3   0.172483D+00  0.623067D+00 -0.261082D+00 -0.745309D+00 -0.301686D-01
               126           127           128           129           130 
      1  -0.745309D+00 -0.168022D+01 -0.162687D+01 -0.520412D+00 -0.162887D+01
      2  -0.301686D-01 -0.162687D+01 -0.210863D+01 -0.616799D+00 -0.192461D+01
      3  -0.324846D-01 -0.520412D+00 -0.616799D+00 -0.420578D+00 -0.518003D+00
               131           132           133           134           135 
      1  -0.192461D+01 -0.518003D+00 -0.688790D+00 -0.693987D+00 -0.122723D+00
      2  -0.787630D+01 -0.202282D+01 -0.693987D+00 -0.219655D+01 -0.674589D+00
      3  -0.202282D+01 -0.145838D+01 -0.122723D+00 -0.674589D+00 -0.459177D+00
               136           137           138           139           140 
      1   0.488549D+01 -0.376390D+01 -0.723959D+00 -0.374833D+01  0.431648D+01
      2  -0.376390D+01  0.349134D+01  0.540304D+00  0.431648D+01 -0.639655D+01
      3  -0.723959D+00  0.540304D+00  0.704223D+00  0.941837D+00 -0.119819D+01
               141           142           143           144           145 
      1   0.941837D+00 -0.716820D+00  0.817664D+00  0.226687D+00  0.131328D+02
      2  -0.119819D+01  0.817664D+00 -0.145266D+01 -0.305069D+00  0.117766D+01
      3  -0.105317D+01  0.226687D+00 -0.305069D+00 -0.249424D+00  0.978925D+00
               146           147           148           149           150 
      1   0.117766D+01  0.978925D+00  0.111182D+01  0.161691D+01  0.478127D+00
      2   0.965878D+00  0.568130D-01  0.161691D+01  0.453419D+00  0.148191D+00
      3   0.568130D-01  0.106709D+01  0.478127D+00  0.148191D+00  0.159440D+00
               151           152           153           154           155 
      1   0.100326D+01  0.464522D+00  0.887641D-01  0.231117D+01  0.257219D+01
      2   0.464522D+00  0.137420D+00  0.295913D-01  0.257219D+01  0.277730D+01
      3   0.887641D-01  0.295913D-01  0.154325D+00  0.730384D+00  0.710270D+00
               156           157           158           159           160 
      1   0.730384D+00  0.239269D+01  0.367764D+01  0.959094D+00  0.808457D+00
      2   0.710270D+00  0.367764D+01  0.896369D+01  0.211559D+01  0.107339D+01
      3   0.580908D+00  0.959094D+00  0.211559D+01  0.148154D+01  0.324593D+00
               161           162           163           164           165 
      1   0.107339D+01  0.324593D+00 -0.363309D+01  0.205981D+01  0.928198D-01
      2   0.230553D+01  0.599806D+00  0.205981D+01 -0.247553D+01 -0.306070D+00
      3   0.599806D+00  0.416410D+00  0.928198D-01 -0.306070D+00 -0.491874D+00
               166           167           168           169           170 
      1   0.249210D+01 -0.260222D+01 -0.498083D+00  0.213403D+00 -0.493837D+00
      2  -0.260222D+01  0.554443D+01  0.872983D+00 -0.493837D+00  0.112777D+01
      3  -0.498083D+00  0.872983D+00  0.964238D+00 -0.803874D-01  0.275942D+00
               171           172           173           174           175 
      1  -0.803874D-01  0.733776D+00  0.149549D-01 -0.637683D+00  0.202188D-01
      2   0.275942D+00  0.149549D-01  0.618005D+00 -0.623239D+00 -0.340913D+00
      3   0.293483D+00 -0.637683D+00 -0.623239D+00  0.249571D+01 -0.393803D-02
               176           177           178           179           180 
      1  -0.340913D+00 -0.393803D-02 -0.151231D+01  0.962744D-01 -0.237993D+00
      2   0.137423D+01 -0.719157D+00  0.962744D-01 -0.129952D+01  0.226498D+01
      3  -0.719157D+00  0.226107D+01 -0.237993D+00  0.226498D+01 -0.821293D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.188156D-02  0.110172D+01 -0.204111D+01  0.168162D+01  0.785658D-01
      2  -0.707629D+00  0.283427D+01  0.364882D+00  0.139414D+01 -0.348883D+01
      3   0.238704D+01 -0.124514D+02 -0.246631D+01  0.338850D+01 -0.133878D+01
                 6             7             8             9            10 
      1  -0.318419D+01 -0.495643D+01  0.911393D+00 -0.110500D+01 -0.441680D+00
      2   0.475312D+01 -0.831616D+01  0.853200D+01  0.454149D+01  0.146409D+01
      3   0.209571D+01 -0.693577D+00  0.298416D+01 -0.444508D+01  0.110974D+01
                11            12            13            14            15 
      1  -0.309982D+00  0.293670D+01 -0.709519D+00  0.183314D+00 -0.215033D+01
      2   0.351910D+00 -0.141007D+01  0.426347D+01  0.938109D+00  0.794985D+00
      3   0.114298D+01  0.128656D+01  0.256986D+01 -0.718178D+01  0.763170D+00
                16            17            18            19            20 
      1   0.671697D+01  0.312289D+01  0.283372D+00 -0.129350D+01 -0.450096D+00
      2  -0.120283D+02 -0.119194D+00  0.678302D+00 -0.370801D+01 -0.127792D+01
      3  -0.107164D+01  0.184171D+00 -0.578017D+01  0.488639D+00  0.794799D+01
                21            22            23            24            25 
      1   0.178430D+00 -0.119692D+01 -0.386263D+01  0.824971D+00 -0.265029D+00
      2  -0.210151D+01 -0.126192D+01  0.631281D+00  0.948937D-01 -0.150330D+02
      3   0.105048D+01  0.172287D+02  0.227247D+01 -0.185457D+01 -0.312424D+00
                26            27            28            29            30 
      1   0.981670D+01  0.267523D+01  0.243011D+00  0.165641D+01 -0.225132D+01
      2   0.621325D+00 -0.144250D+00  0.387894D+01  0.160880D+01 -0.944723D+00
      3  -0.943506D+00  0.220509D+00 -0.563073D+01 -0.282409D+01 -0.229885D+01
                31            32            33            34            35 
      1   0.100438D+01  0.820358D+00 -0.251261D+01 -0.506695D+01  0.117926D+01
      2   0.192500D+01 -0.760837D+00 -0.132980D+01 -0.136073D+02 -0.145667D+01
      3   0.324207D+01  0.654220D+01  0.109335D+00 -0.276626D+01 -0.760932D+00
                36            37            38            39            40 
      1  -0.617612D+00 -0.498577D+00 -0.115739D+01  0.296382D+01 -0.163921D+01
      2  -0.263831D+01 -0.116759D+01  0.190172D+01  0.269264D+01 -0.113618D+01
      3   0.512284D+01  0.370838D+01 -0.101737D+02 -0.213725D+01  0.698233D+01
                41            42            43            44            45 
      1  -0.336873D+00 -0.208303D+01  0.687341D+01  0.344388D+01  0.120333D+01
      2   0.373282D+01 -0.539808D+01 -0.386180D+01 -0.938355D+01 -0.484473D+01
      3   0.207924D+01 -0.242894D+01  0.147818D+00 -0.368058D+01  0.383377D+01
                46            47            48            49            50 
      1   0.354615D+00 -0.464187D+00 -0.101818D+01 -0.866364D+00 -0.295801D+01
      2   0.358553D+00 -0.399873D+00  0.797796D+01 -0.505739D+01 -0.621585D-02
      3  -0.232326D+01 -0.709783D+01  0.205991D+00  0.109817D+02 -0.190289D+01
                51            52            53            54            55 
      1   0.203873D+01 -0.213800D+01  0.108486D+02  0.316208D+01 -0.842300D+00
      2   0.871332D+00  0.770431D+01  0.196021D+01  0.253403D+01  0.308036D+01
      3   0.124432D+01  0.434248D+01  0.938818D+00 -0.392403D+00 -0.482232D+00
                56            57            58            59            60 
      1  -0.114974D+01 -0.120402D+01  0.316502D+01  0.372557D+01  0.116205D+01
      2   0.100852D+01 -0.257152D+01  0.262356D+01 -0.737972D+01 -0.138746D+01
      3   0.250080D-01  0.995454D+00  0.748865D+01  0.664037D+01  0.732894D+01
                61            62            63            64            65 
      1   0.273967D+01  0.346156D+01 -0.196052D+01 -0.245067D+01  0.262744D+01
      2  -0.145797D+02 -0.650905D+01  0.252530D+01  0.223375D+01 -0.106006D+01
      3  -0.520367D-01  0.126035D+02  0.381339D+01  0.164210D+02 -0.767339D+01
                66            67            68            69            70 
      1   0.290807D+01  0.110322D+00 -0.236971D+01 -0.163313D+01 -0.827562D+00
      2   0.975055D+01  0.637173D+00  0.256818D+01  0.213125D+01  0.102499D+01
      3   0.451683D+01  0.298938D+01  0.303825D+01 -0.413921D+01  0.225940D+01
                71            72            73            74            75 
      1   0.704210D+01 -0.743869D+01  0.365065D+01 -0.307193D+01 -0.184157D+00
      2   0.497752D+01 -0.136123D+02 -0.129126D+02 -0.555491D+01  0.106166D+02
      3  -0.171233D+01 -0.530882D+01  0.461036D+00 -0.999739D+01  0.177720D+01
                76            77            78            79            80 
      1  -0.811391D+00 -0.133893D+01 -0.111916D+02 -0.125914D+01 -0.602077D+01
      2  -0.564450D+01  0.137593D+02  0.168851D+01  0.722991D+01  0.312026D+01
      3  -0.286493D+01  0.248259D+01 -0.140828D+02  0.806203D+00 -0.125510D+02
                81            82            83            84            85 
      1  -0.887437D+00  0.235515D+01  0.112731D+01  0.155690D+01 -0.581310D+00
      2   0.137735D+01 -0.418267D+01 -0.152553D+00  0.569316D+01 -0.110647D+01
      3  -0.171111D+01 -0.117144D+02 -0.524588D+01 -0.198853D+01 -0.813390D+00
                86            87            88            89            90 
      1  -0.317037D+00 -0.664663D+00 -0.247432D+00  0.160753D+00  0.211955D-02
      2  -0.538393D+00  0.922538D+00  0.475171D+00  0.146977D+00  0.851704D+00
      3   0.985767D+00  0.103980D+01  0.275698D-01  0.819361D+00 -0.205583D+00
                91            92            93            94            95 
      1  -0.742424D+00 -0.596835D-01 -0.820655D+00 -0.102656D+01 -0.113175D+00
      2   0.107335D+01  0.299353D+00  0.246306D+01 -0.994210D+00  0.369680D+01
      3  -0.338616D+01 -0.250522D+01 -0.336881D+00  0.394634D+01 -0.123355D+02
                96            97            98            99           100 
      1  -0.475638D+01 -0.911094D+00  0.411213D+00 -0.213543D+01  0.148924D+01
      2   0.362655D+01 -0.130965D+00  0.295827D+01  0.298248D+01 -0.158864D+01
      3  -0.360719D+01  0.156661D+01 -0.610263D+01 -0.288946D+01  0.220970D+01
               101           102           103           104           105 
      1   0.141683D+01  0.241228D+00  0.545752D+00  0.782130D+01  0.351969D+01
      2  -0.943824D+00 -0.182193D+01 -0.182294D+01 -0.639962D+01 -0.803755D+01
      3   0.106018D+01  0.346205D-01  0.193296D+01  0.895229D+01  0.643242D+01
               106           107           108           109           110 
      1  -0.388901D+00  0.593708D+01  0.435787D+01 -0.162031D+01  0.229800D+01
      2  -0.250594D+01 -0.403471D+01 -0.830776D+01 -0.318276D+01  0.331902D+01
      3  -0.358322D+00  0.547126D+01  0.456528D+01 -0.426414D+01  0.426366D+01
               111           112           113           114           115 
      1   0.654883D+00  0.126534D+01 -0.524097D+01 -0.335074D-01  0.347613D+00
      2  -0.343067D+01  0.384924D+01 -0.792518D+01  0.640960D+01 -0.342347D+01
      3  -0.224475D+01  0.551063D+01 -0.111979D+02  0.692976D+01 -0.139577D+01
               116           117           118           119           120 
      1   0.359049D+01 -0.240362D-01 -0.118532D+01 -0.214468D+01 -0.142336D+01
      2   0.462146D+01 -0.632584D+01  0.103038D+02  0.119324D+01  0.674672D+01
      3   0.519457D+01 -0.481107D+01  0.328760D+01 -0.600695D+01  0.155308D+00
               121           122           123           124           125 
      1  -0.153119D+01 -0.468500D+00 -0.187094D+00 -0.827348D+00  0.107888D+01
      2   0.191051D+01 -0.476099D+00  0.954294D+00  0.100734D+01 -0.106428D+00
      3  -0.151558D+01 -0.163718D+01  0.173149D+01 -0.108296D+00  0.124217D+01
               126           127           128           129           130 
      1  -0.298594D+00  0.125835D+00  0.360543D+00 -0.160142D+01  0.145229D+00
      2   0.834552D+00 -0.183419D+01 -0.107379D+01 -0.409361D-02 -0.172851D+01
      3   0.784331D+00  0.654754D+01  0.314386D+01  0.123707D+01  0.702040D+01
               131           132           133           134           135 
      1   0.890650D+00 -0.415572D+01  0.542086D+00  0.229802D+01 -0.669767D+00
      2  -0.225333D+01 -0.820845D-01 -0.213242D+01 -0.715009D+00  0.472904D-01
      3   0.815966D+01  0.249907D+01  0.241694D+01  0.229260D+01  0.517588D+00
               136           137           138           139           140 
      1   0.176732D+00 -0.654701D+00  0.232411D+01  0.284167D+00  0.313919D+00
      2   0.675686D-02  0.100387D+00  0.301776D+01  0.904730D+00 -0.165173D+01
      3   0.153961D+01 -0.510271D+01 -0.314175D+00 -0.314377D+01  0.107625D+02
               141           142           143           144           145 
      1  -0.342166D+01 -0.916865D+00  0.165751D+01 -0.429571D+00 -0.143676D+00
      2  -0.369520D+01 -0.828597D+00  0.384697D+00 -0.609246D+00  0.117531D+01
      3   0.155066D+01 -0.103139D+01  0.255710D+01  0.336576D+00 -0.470677D+00
               146           147           148           149           150 
      1   0.381145D+00 -0.614566D+00  0.218405D-02 -0.222920D-02 -0.424772D+00
      2  -0.817175D-01  0.657756D+01  0.171590D+01  0.357841D+00  0.894120D+00
      3  -0.564711D+01  0.151012D+00 -0.359915D+01 -0.124567D+01 -0.364906D+00
               151           152           153           154           155 
      1   0.391578D+00  0.601402D+00 -0.230477D-01 -0.212457D+00  0.175114D+00
      2  -0.268507D+01 -0.160310D+00  0.460973D+00  0.311278D+00  0.642811D+00
      3  -0.148363D+01 -0.767600D+00 -0.376355D-01 -0.747139D+00 -0.281261D+01
               156           157           158           159           160 
      1  -0.174666D+01 -0.230444D+00  0.554231D+00 -0.451145D+01  0.567200D+00
      2   0.177746D+01  0.566015D+00  0.301949D+01  0.367903D+01 -0.615562D+00
      3  -0.492410D+00 -0.109518D+01 -0.130438D+02 -0.277375D+01 -0.350905D+00
               161           162           163           164           165 
      1   0.202371D+01 -0.713219D+00  0.869539D+00 -0.916918D+00  0.233102D+01
      2   0.260716D+00  0.908173D+00  0.239486D+01 -0.867812D+00  0.485664D+00
      3  -0.347172D+01 -0.747150D+00 -0.103728D+02  0.355714D+01 -0.171266D+00
               166           167           168           169           170 
      1  -0.130706D+00  0.530355D-01 -0.325425D+01 -0.770556D-01  0.196245D+01
      2  -0.100799D+01  0.122908D+01 -0.104865D+01 -0.179450D+01  0.468573D+00
      3   0.715036D+01 -0.467401D+01 -0.111390D+01 -0.120446D+00 -0.123626D+01
               171           172           173           174           175 
      1  -0.323010D+00  0.168026D+00 -0.765192D+00 -0.318971D+01 -0.119744D+00
      2  -0.419524D+00  0.364249D+01  0.111901D+01 -0.596806D+01 -0.296147D-01
      3  -0.156875D+00  0.115224D+01  0.158096D+01 -0.192466D+01  0.704222D+00
               176           177           178           179           180 
      1  -0.399452D+00 -0.329254D+01 -0.217742D+00  0.128936D+01  0.790651D+01
      2   0.947092D+00 -0.584141D+01 -0.400306D+01 -0.564668D+01  0.185208D+02
      3   0.272175D+01 -0.719881D+00 -0.182231D+01 -0.306115D+01  0.729107D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.813053D+01 -0.208263D+02 -0.310319D+01  0.205832D+02  0.116339D+02
      2  -0.757182D+01  0.136587D+02  0.767060D+00 -0.179604D+02 -0.142932D+02
      3  -0.558716D+00  0.716760D+01  0.233613D+01 -0.262277D+01  0.265935D+01
      4  -0.148971D+02 -0.572602D+01 -0.351839D+01  0.108003D+02 -0.207599D+01
      5  -0.624331D+01 -0.159162D+01 -0.266044D+01 -0.238192D-02 -0.760741D+01
      6  -0.469654D+01 -0.116472D+01  0.408006D+01 -0.576989D+01 -0.117328D+02
                 6             7             8             9            10 
      1   0.396041D+01  0.494617D+01  0.110306D+01 -0.579384D+01  0.163784D+00
      2  -0.725739D+01 -0.839277D+01 -0.949591D+01 -0.533346D+01 -0.719793D+00
      3   0.329698D+01  0.344660D+01  0.839285D+01  0.111273D+02  0.556009D+00
      4  -0.721268D+01 -0.319414D+01 -0.104235D+02  0.130262D+02  0.100947D+02
      5   0.969873D+01  0.125646D+02  0.132135D+02  0.990053D+01  0.358658D+01
      6   0.444025D+01  0.518169D+01  0.131096D+02  0.319628D+01  0.232225D+01
                11            12            13            14            15 
      1   0.165782D+02  0.467090D+01 -0.417645D+01  0.101459D+01  0.467686D+01
      2  -0.119413D+02  0.612499D+00  0.114115D+02 -0.355309D+01 -0.324149D+01
      3  -0.463688D+01 -0.528340D+01 -0.723500D+01  0.253850D+01 -0.143537D+01
      4  -0.103504D+02 -0.624076D+00  0.336410D+01  0.133078D+02  0.290147D+01
      5  -0.166108D+01 -0.210467D+01  0.369250D+01  0.267963D+01  0.460097D-01
      6  -0.989297D+00 -0.607691D+01  0.832882D+01 -0.544518D+01  0.455998D+01
                16            17            18            19            20 
      1  -0.171907D+01  0.517013D+01 -0.135541D+02 -0.195260D+02 -0.268969D+01
      2   0.747071D+01 -0.724549D+01  0.139379D+01  0.512342D+01  0.249788D+01
      3  -0.575164D+01  0.207536D+01  0.121603D+02  0.144026D+02  0.191810D+00
      4   0.263171D+01  0.112861D+01  0.356730D+01  0.553334D+01  0.809562D+00
      5   0.317221D+01  0.239209D+01 -0.149706D+00 -0.849095D+01 -0.121865D+01
      6  -0.271995D+01  0.103538D+02  0.109928D+00 -0.389898D+01  0.339538D+00
                21            22            23            24            25 
      1  -0.352437D+01  0.115951D+01 -0.877953D+01 -0.159461D+01 -0.538274D+01
      2  -0.449089D+00 -0.326491D+01  0.143949D+02  0.788301D+01 -0.132907D+01
      3   0.397346D+01  0.210539D+01 -0.561541D+01 -0.628840D+01  0.671181D+01
      4  -0.645952D+00 -0.816139D+01 -0.203778D+01  0.138559D+01 -0.589182D+01
      5  -0.306015D+00 -0.612815D+01  0.142549D+01 -0.482220D+00  0.597713D+01
      6   0.137435D+01 -0.285098D+01  0.607862D+01 -0.839114D+00  0.180026D+00
                26            27            28            29            30 
      1  -0.233022D+01 -0.802218D+01  0.127934D+02 -0.106531D+02 -0.301605D+00
      2   0.442669D+01 -0.289987D+01 -0.836747D+01  0.788781D+01 -0.149235D+01
      3  -0.209647D+01  0.109220D+02 -0.442591D+01  0.276524D+01  0.179396D+01
      4   0.237984D+01  0.152070D+01 -0.714291D+01 -0.175297D+02 -0.389651D+01
      5   0.112221D+01 -0.779488D+00  0.189761D+01 -0.267891D+01 -0.476439D+01
      6   0.718896D+01 -0.333513D+01 -0.183390D+01 -0.183257D+01  0.456151D+01
                31            32            33            34            35 
      1   0.655373D+00  0.806166D+01  0.543733D+01  0.258930D+01  0.419642D+01
      2  -0.836360D+01 -0.107689D+02 -0.787362D+01 -0.475593D+01 -0.113345D+02
      3   0.770823D+01  0.270726D+01  0.243629D+01  0.216663D+01  0.713807D+01
      4   0.105325D+02 -0.130518D+02 -0.232503D+01 -0.932956D+00 -0.288029D+01
      5  -0.645886D+00 -0.266580D+01 -0.898078D+00  0.329511D+01 -0.564750D+01
      6  -0.589854D+01 -0.106720D+02  0.275064D+01  0.145808D+01  0.118012D+02
                36            37            38            39            40 
      1  -0.151631D+02 -0.197504D+01  0.228669D+02  0.617372D+01 -0.266163D+02
      2  -0.690437D+00 -0.169981D+01 -0.144811D+02  0.199362D+00  0.249917D+02
      3   0.158536D+02  0.367485D+01 -0.838575D+01 -0.637308D+01  0.162454D+01
      4  -0.691178D+01  0.159787D+02  0.332140D+01  0.243166D+01  0.237938D+01
      5  -0.446179D+01  0.258939D+00  0.528346D+00  0.523860D+01 -0.593356D+01
      6   0.422601D+01  0.537638D+00 -0.153793D+01 -0.684811D+01  0.827497D+01
                41            42            43            44            45 
      1   0.431282D+01  0.108850D+01 -0.890582D+01  0.416530D+01  0.209555D+01
      2  -0.712472D+01 -0.138442D+01  0.112052D+02 -0.850145D+01 -0.859403D+01
      3   0.281189D+01  0.295913D+00 -0.229940D+01  0.433615D+01  0.649847D+01
      4   0.906915D+01  0.106497D+02 -0.197372D+01  0.979126D+01 -0.135210D+02
      5   0.897021D+01 -0.109764D+02  0.191222D+02 -0.137740D+02 -0.103395D+02
      6  -0.727281D+01  0.406977D+01 -0.584409D+01  0.112755D+02 -0.355210D+00
                46            47            48            49            50 
      1  -0.114789D+02 -0.350917D+01 -0.530719D+01  0.953077D+01 -0.199559D+02
      2   0.732656D+01  0.266305D+01  0.193523D+01 -0.803176D+01  0.175552D+02
      3   0.415238D+01  0.846114D+00  0.337196D+01 -0.149900D+01  0.240068D+01
      4  -0.203665D+01  0.224921D+02  0.569705D+00 -0.187284D+02 -0.374315D+01
      5  -0.397139D+01  0.261446D+00  0.183707D+02 -0.140532D+02 -0.124351D+01
      6   0.895391D+00  0.224723D+00  0.233578D+01 -0.330961D+01  0.469979D+01
                51            52            53            54            55 
      1  -0.867129D+01 -0.321079D+01 -0.916326D+01  0.132467D+02  0.112371D+02
      2   0.113282D+02 -0.852186D+00  0.650680D+01 -0.158979D+02 -0.282889D+01
      3  -0.265690D+01  0.406298D+01  0.265646D+01  0.265118D+01 -0.840818D+01
      4  -0.410090D+01 -0.145945D+02 -0.168639D+01  0.177113D+01  0.138203D+01
      5   0.153858D+01  0.346889D+02  0.289987D+01  0.553653D+01  0.551532D+01
      6  -0.335997D+01  0.123579D+01  0.678353D+01 -0.453888D+01  0.225511D+01
                56            57            58            59            60 
      1   0.184119D+00 -0.220755D+01  0.114641D+02  0.705868D+01  0.792167D+01
      2   0.374137D+01 -0.673948D+00 -0.795541D+01 -0.132547D+02 -0.175175D+02
      3  -0.392549D+01  0.288150D+01 -0.350864D+01  0.619599D+01  0.959588D+01
      4  -0.107690D+02  0.269064D+01 -0.112260D+02 -0.229395D+02 -0.166815D+02
      5   0.277413D+01 -0.147571D+02  0.173768D+02 -0.141235D+02  0.106574D-02
      6  -0.676807D+00 -0.512733D+00 -0.516281D+01 -0.125107D+02 -0.582365D+01
                61            62            63            64            65 
      1   0.485106D+01  0.671865D+01 -0.503754D+01 -0.352155D+02  0.687065D+00
      2  -0.106745D+02 -0.278439D+01  0.633439D+01  0.239193D+02 -0.590111D+01
      3   0.582342D+01 -0.393426D+01 -0.129685D+01  0.112962D+02  0.521404D+01
      4   0.144355D+02 -0.200184D+02 -0.128957D+02 -0.163105D+01  0.137761D+02
      5  -0.273591D+02 -0.124852D+02  0.706766D+01 -0.163233D+02 -0.345266D+00
      6  -0.744626D+01 -0.995377D+01  0.275617D+01 -0.988283D+00  0.138120D+01
                66            67            68            69            70 
      1  -0.101512D+02 -0.103746D+02 -0.429772D+01 -0.282266D+01 -0.885664D+01
      2   0.653220D+00  0.222202D+01  0.142911D+02 -0.208252D+01  0.207606D+01
      3   0.949799D+01  0.815255D+01 -0.999334D+01  0.490518D+01  0.678057D+01
      4   0.179460D+01  0.165790D+02 -0.789157D+01  0.108414D+02 -0.826494D+00
      5   0.123580D+02 -0.944905D+01  0.956331D+01  0.112642D+01  0.113349D+02
      6  -0.338083D+01  0.564948D+01 -0.416442D+01  0.645505D+01 -0.141423D+01
                71            72            73            74            75 
      1   0.644150D+00  0.154757D+02 -0.546743D+02 -0.158063D+02  0.990676D+01
      2  -0.956660D+01 -0.150813D+00  0.220211D+02  0.957457D+01 -0.135532D+01
      3   0.892245D+01 -0.153249D+02  0.326532D+02  0.623176D+01 -0.855144D+01
      4   0.389444D+01  0.232625D+01 -0.207641D+02  0.810661D+01 -0.285440D+01
      5   0.478688D+01 -0.154469D+02  0.139051D+02 -0.181556D+00  0.123918D+02
      6   0.465995D+01  0.860535D+01  0.405968D+01 -0.685170D+01  0.401031D+01
                76            77            78            79            80 
      1  -0.169505D+02  0.188019D+02 -0.442978D+01  0.825827D+00 -0.589962D+01
      2   0.914002D+01 -0.504923D+01  0.131737D+02  0.837723D+01  0.114539D+02
      3   0.781044D+01 -0.137527D+02 -0.874394D+01 -0.920305D+01 -0.555425D+01
      4   0.717822D+01  0.278577D+01  0.178177D+02 -0.885177D+01  0.132501D+02
      5  -0.382217D+01  0.132628D+02  0.799780D+01  0.234895D+02  0.108283D+02
      6  -0.376790D+01  0.364259D+01 -0.126377D+02  0.819626D+01 -0.788426D+01
                81            82            83            84            85 
      1   0.115322D+02  0.729644D+02 -0.261993D+01  0.103956D+02  0.404370D+01
      2  -0.118896D+02 -0.432920D+02  0.874170D+00 -0.980673D+01 -0.106721D+01
      3   0.357449D+00 -0.296724D+02  0.174576D+01 -0.588849D+00 -0.297649D+01
      4   0.111651D+02 -0.138019D+02  0.772544D+01 -0.377757D+01  0.495145D+01
      5  -0.118216D+02  0.299422D+02 -0.292060D+01  0.155306D+02 -0.137831D+01
      6  -0.536783D+01 -0.236971D+01  0.213388D+01 -0.260671D+01  0.180958D+01
                86            87            88            89            90 
      1   0.178373D+01 -0.222329D+01  0.301707D+01 -0.146892D+01  0.317385D+01
      2   0.703450D+00  0.172871D+01 -0.219875D+01  0.115208D+01 -0.342394D+01
      3  -0.248718D+01  0.494586D+00 -0.818326D+00  0.316837D+00  0.250091D+00
      4  -0.171185D+01  0.135408D+00 -0.260160D+01 -0.147243D+00 -0.130773D+01
      5  -0.586065D-01 -0.644549D+00  0.879471D+01 -0.152284D+01  0.460346D+01
      6  -0.191836D+00  0.127593D+01 -0.140799D+01  0.110888D+01 -0.865261D+00
                91            92            93            94            95 
      1   0.116668D+01  0.225742D+01  0.192084D+01  0.744886D+00 -0.138159D+02
      2   0.180980D+01 -0.723785D-01  0.579585D-01  0.208141D+01  0.220791D+02
      3  -0.297649D+01 -0.218504D+01 -0.197880D+01 -0.282629D+01 -0.826324D+01
      4   0.696311D+01  0.116588D+02  0.281549D+01  0.107231D+02  0.296376D+02
      5   0.263219D+01  0.275971D+01  0.706610D+01  0.247589D+01  0.746764D+01
      6   0.399389D+01  0.184652D+01  0.979601D+00  0.275120D+01  0.161872D+02
                96            97            98            99           100 
      1  -0.529242D+01  0.634163D+00 -0.695106D+01 -0.544571D+01  0.384813D+01
      2   0.749909D+01  0.112983D+01  0.552996D+01  0.182572D+01 -0.239073D+01
      3  -0.220667D+01 -0.176399D+01  0.142110D+01  0.361999D+01 -0.145740D+01
      4   0.850869D+01  0.254524D+01  0.137732D+02  0.863751D+01 -0.606191D+00
      5   0.824541D+01  0.760816D+01  0.775286D+01  0.688671D+01 -0.227830D+01
      6   0.103523D+02  0.296162D+01  0.128309D+02  0.898557D+01  0.185212D+01
               101           102           103           104           105 
      1  -0.140604D+01 -0.523216D+01 -0.563107D+01 -0.750352D+01 -0.596716D+01
      2   0.611217D+00  0.292504D+00  0.404199D+01  0.611690D-02 -0.671135D+01
      3   0.794821D+00  0.493965D+01  0.158907D+01  0.749740D+01  0.126785D+02
      4  -0.362615D+00  0.413642D+00  0.202945D+01 -0.158622D+02 -0.107226D+02
      5   0.161720D+01 -0.147189D+00  0.788464D+01 -0.892724D+01 -0.154574D+02
      6   0.164592D+01  0.315826D-01 -0.391205D+00  0.116189D+02  0.981439D+01
               106           107           108           109           110 
      1  -0.416865D+01 -0.387978D+01 -0.105289D+02 -0.110670D+01  0.933824D+01
      2   0.282933D+01 -0.508504D+01 -0.709054D+01  0.175775D+01 -0.651423D+01
      3   0.133932D+01  0.896482D+01  0.176195D+02 -0.651049D+00 -0.282401D+01
      4   0.833859D+00 -0.953197D+01 -0.791159D+01  0.164254D+01 -0.269637D+01
      5   0.472161D+01 -0.669736D+01 -0.141024D+02  0.490258D+00 -0.166653D+00
      6  -0.672284D+00  0.916307D+01  0.720008D+01 -0.332301D+01  0.638591D+01
               111           112           113           114           115 
      1  -0.802706D+01  0.965626D+01 -0.194882D+02  0.124533D+02 -0.416806D+01
      2   0.184907D+01 -0.546666D+01  0.169702D+02 -0.514141D+01  0.919981D+00
      3   0.617798D+01 -0.418960D+01  0.251808D+01 -0.731190D+01  0.324808D+01
      4   0.152028D+01  0.284665D+01  0.159585D+02 -0.101155D+02  0.127273D-02
      5  -0.272535D+01 -0.460664D+01 -0.754719D+01  0.804712D+01  0.240276D+01
      6  -0.538425D+01  0.184777D+01 -0.179760D+02  0.146885D+02 -0.217526D+01
               116           117           118           119           120 
      1   0.969767D+01 -0.133347D+02  0.817716D+02  0.101998D+02 -0.575012D+01
      2  -0.373008D+01  0.129325D+01 -0.408603D+02 -0.312579D+01  0.686100D+01
      3  -0.596759D+01  0.120415D+02 -0.409113D+02 -0.707396D+01 -0.111088D+01
      4  -0.721574D+01  0.510583D+01  0.246782D+02  0.147388D+02 -0.343162D+01
      5   0.441801D+01 -0.684935D+01 -0.291183D+02 -0.497152D+01  0.157298D+02
      6   0.125833D+02 -0.110572D+02 -0.498178D+01 -0.379137D+01  0.302297D+01
               121           122           123           124           125 
      1   0.954913D+01  0.527907D+01  0.408051D+00  0.443830D+01  0.826517D+00
      2  -0.277030D+01 -0.139793D+01 -0.431623D+00  0.350970D+00 -0.264119D+00
      3  -0.677883D+01 -0.388114D+01  0.235725D-01 -0.478927D+01 -0.562398D+00
      4   0.144691D+02  0.689367D+01 -0.331132D+01  0.156426D+01 -0.327171D+00
      5  -0.363086D+01 -0.426508D+01  0.199617D+01  0.846722D+01  0.623216D+00
      6  -0.264368D+01 -0.195308D+01  0.331400D+01  0.174856D+01  0.215550D+01
               126           127           128           129           130 
      1   0.462110D+01 -0.502906D+01 -0.858019D+01 -0.295466D+01 -0.747965D+01
      2  -0.341831D+01  0.606098D+01  0.100490D+02  0.202608D+01  0.876577D+01
      3  -0.120280D+01 -0.103192D+01 -0.146882D+01  0.928575D+00 -0.128611D+01
      4   0.129199D+01  0.354931D+01  0.679637D+01  0.143719D+01  0.533435D+01
      5  -0.133715D+01  0.118311D+01  0.126808D+01  0.166681D+01  0.113645D+01
      6  -0.617411D-01  0.248411D+01  0.391235D+01  0.277479D+01  0.305415D+01
               131           132           133           134           135 
      1  -0.312683D+02 -0.879674D+01 -0.231239D+01 -0.857734D+01 -0.366886D+01
      2   0.399994D+02  0.766271D+01  0.259232D+01  0.100507D+02  0.365213D+01
      3  -0.873101D+01  0.113403D+01 -0.279934D+00 -0.147338D+01  0.167317D-01
      4  -0.918265D+00 -0.643932D+00  0.152907D+01 -0.172425D+00  0.121159D+01
      5  -0.661792D+00 -0.162058D+00  0.109365D+01  0.421998D+00  0.614998D+00
      6   0.132878D+02  0.952219D+01  0.103657D+01  0.536188D+01  0.392540D+01
               136           137           138           139           140 
      1   0.216570D+02 -0.129778D+02 -0.267881D+01 -0.927302D+01  0.279092D+01
      2  -0.408952D+01 -0.136804D+01  0.961118D+00 -0.568219D+01  0.165209D+02
      3  -0.175674D+02  0.143459D+02  0.171769D+01  0.149552D+02 -0.193118D+02
      4  -0.324211D+02  0.299035D+02  0.465627D+01  0.330068D+02 -0.427144D+02
      5  -0.680211D+01  0.482654D+01  0.676465D+01  0.713327D+01 -0.826497D+01
      6   0.258242D+01 -0.228908D+01 -0.341097D+01 -0.446302D+01  0.623177D+01
               141           142           143           144           145 
      1   0.687540D+00 -0.120539D+01 -0.868801D-01 -0.373775D-01  0.984223D+02
      2   0.867068D+00 -0.123772D+01  0.317085D+01  0.905043D+00 -0.552558D+02
      3  -0.155461D+01  0.244311D+01 -0.308397D+01 -0.867666D+00 -0.431665D+02
      4  -0.779240D+01  0.633771D+01 -0.815500D+01 -0.322686D+01  0.128074D+02
      5  -0.678386D+01  0.287932D+01 -0.268463D+01 -0.187436D+01  0.942490D+01
      6   0.644918D+01 -0.192345D+01  0.283863D+01  0.215871D+01 -0.222671D+01
               146           147           148           149           150 
      1   0.817253D+01  0.616977D+01  0.678963D+01  0.926470D+01  0.199878D+01
      2  -0.395131D+01 -0.425089D+01 -0.297033D+01 -0.414135D+01 -0.167795D+01
      3  -0.422122D+01 -0.191888D+01 -0.381930D+01 -0.512336D+01 -0.320830D+00
      4   0.102568D+02  0.560630D+00  0.152492D+02  0.406031D+01  0.137906D+01
      5   0.520615D+00  0.112374D+02  0.393033D+01  0.150671D+01  0.150597D+01
      6   0.278971D+00  0.575220D+00  0.815910D+00 -0.117877D+00  0.158555D+01
               151           152           153           154           155 
      1   0.746375D+01  0.221039D+01  0.316745D+01  0.568037D+01  0.434962D+01
      2  -0.408290D+01 -0.121879D+01 -0.202769D+01  0.288885D+01  0.501103D+01
      3  -0.338086D+01 -0.991606D+00 -0.113976D+01 -0.856923D+01 -0.936065D+01
      4   0.420745D+01  0.159604D+01  0.788954D+00  0.184774D+02  0.228634D+02
      5   0.291792D+01  0.511275D+00  0.142397D+01  0.476312D+01  0.530979D+01
      6   0.135443D+00  0.641108D+00  0.510330D+00  0.355977D+01  0.410753D+01
               156           157           158           159           160 
      1   0.102079D+01 -0.353014D+00 -0.154305D+02 -0.388830D+01  0.281132D+00
      2   0.280956D+00  0.104777D+02  0.355908D+02  0.546185D+01  0.205537D+01
      3  -0.130175D+01 -0.101247D+02 -0.201602D+02 -0.157354D+01 -0.233650D+01
      4   0.544375D+01  0.241871D+02  0.450124D+02  0.103306D+02  0.658852D+01
      5   0.523243D+01  0.585317D+01  0.998729D+01  0.708945D+01  0.271177D+01
      6   0.314923D+01  0.567955D+01  0.135091D+02  0.983013D+01  0.245243D+01
               161           162           163           164           165 
      1  -0.334249D+01 -0.197113D+01 -0.416448D+01  0.684286D+01  0.124975D+01
      2   0.764804D+01  0.276489D+01  0.542872D+01 -0.944613D+01 -0.100497D+01
      3  -0.430555D+01 -0.793762D+00 -0.126425D+01  0.260327D+01 -0.244776D+00
      4   0.120233D+02  0.423654D+01 -0.824921D+01  0.679006D+01  0.721868D+00
      5   0.350137D+01  0.272766D+01 -0.187350D+00  0.790677D+00  0.144162D+01
      6   0.534214D+01  0.386173D+01  0.673183D+00 -0.176163D+01 -0.251429D+01
               166           167           168           169           170 
      1   0.773802D+01 -0.197462D+02 -0.377411D+01  0.145215D+01 -0.370172D+01
      2  -0.998218D+01  0.262211D+02  0.303983D+01 -0.192214D+01  0.438261D+01
      3   0.224416D+01 -0.647482D+01  0.734277D+00  0.469986D+00 -0.680891D+00
      4   0.747280D+01 -0.775565D+01 -0.102985D+01  0.117151D+01 -0.134007D+01
      5   0.972546D+00 -0.121240D+01 -0.144969D+01  0.109276D+01 -0.696671D+00
      6  -0.251381D+01  0.506331D+01  0.543147D+01 -0.109177D+01  0.249520D+01
               171           172           173           174           175 
      1  -0.113062D+01 -0.305680D+01 -0.219729D+01  0.943533D+01 -0.116542D+01
      2   0.158443D+01 -0.646130D-01  0.127160D+00  0.168448D+01  0.593718D+00
      3  -0.453811D+00  0.312141D+01  0.207013D+01 -0.111198D+02  0.571706D+00
      4  -0.198430D+01  0.601563D+00 -0.216967D+01 -0.373713D+00  0.321868D+01
      5  -0.124644D+01  0.109488D+01  0.101282D+01 -0.574123D+01 -0.805391D+00
      6   0.169899D+01 -0.896657D+00 -0.136146D+01  0.383941D+01 -0.160845D+00
               176           177           178           179           180 
      1  -0.280606D+01  0.487224D+01  0.857786D+01  0.671331D+01 -0.228391D+02
      2   0.143103D+01  0.258650D+01 -0.441385D+01  0.949081D+00 -0.115518D+02
      3   0.137503D+01 -0.745873D+01 -0.416401D+01 -0.766239D+01  0.343909D+02
      4  -0.586481D+01  0.126519D+01 -0.297909D+01  0.406137D+01 -0.689007D+01
      5   0.171443D+01 -0.104385D+02  0.723093D+01 -0.880522D+01  0.309263D+02
      6  -0.234892D+01  0.794320D+01  0.266968D+00  0.777988D+01 -0.157197D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x         -0.281616D+00     -0.715797D+00     -0.238764D+01
   y         -0.309910D+00     -0.787713D+00     -0.262753D+01
   z         -0.276521D+00     -0.702847D+00     -0.234445D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.126371D+03      0.187263D+02      0.208358D+02
   yx         0.402625D+00      0.596629D-01      0.663839D-01
   yy         0.100540D+03      0.148985D+02      0.165768D+02
   zx         0.105230D+01      0.155934D+00      0.173500D+00
   zy         0.547514D+01      0.811332D+00      0.902728D+00
   zz         0.712755D+02      0.105619D+02      0.117517D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108554D+03      0.160861D+02      0.178982D+02
   aniso      0.499762D+02      0.740571D+01      0.823996D+01
   xx         0.136206D+03      0.201837D+02      0.224574D+02
   yx         0.158151D+00      0.234355D-01      0.260756D-01
   yy         0.109635D+03      0.162462D+02      0.180764D+02
   zx         0.127914D+01      0.189550D+00      0.210902D+00
   zy         0.593351D+01      0.879255D+00      0.978304D+00
   zz         0.798221D+02      0.118284D+02      0.131609D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.79743201         -0.66319326         -3.68063204
     6         -0.06957318         -1.16592580         -1.90546131
     6          0.00085436         -0.02782729          0.47048632
     6          1.98025051          1.61507087          1.02844964
     6          3.84809531          2.12727537         -0.74599001
     6          3.76079408          0.98799709         -3.10985099
     6         -2.07648581         -0.48288379          2.38707606
     7         -2.88154853         -3.13309871          2.32361648
     6         -4.36773455          1.19509392          1.84617470
     1         -4.28360296         -3.43799186          3.59120548
     1         -1.32070315          0.06463380          4.24415736
     1         -5.15308018          0.74474300         -0.00557251
     1         -3.83379570          3.18485701          1.87046587
     1         -5.83731753          0.90308897          3.26829073
     1          2.06207774          2.49797152          2.87523312
     1          5.37539950          3.40560907         -0.27783445
     1          5.21640434          1.37545879         -4.49381304
     1          1.72110966         -1.56341910         -5.51666398
     1         -1.59074908         -2.46191844         -2.33501284
     1         -1.42670246         -4.29498573          2.77272661

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501813D+00      0.127548D+01      0.425455D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.108018D+03      0.160066D+02      0.178098D+02
   yx         0.164280D+02      0.243438D+01      0.270861D+01
   yy         0.857230D+02      0.127028D+02      0.141338D+02
   zx        -0.183095D+02     -0.271318D+01     -0.301883D+01
   zy         0.652719D+01      0.967230D+00      0.107619D+01
   zz         0.104446D+03      0.154772D+02      0.172207D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108554D+03      0.160861D+02      0.178982D+02
   aniso      0.499762D+02      0.740571D+01      0.823996D+01
   xx         0.117409D+03      0.173983D+02      0.193582D+02
   yx         0.171230D+02      0.253737D+01      0.282320D+01
   yy         0.943640D+02      0.139833D+02      0.155585D+02
   zx        -0.185332D+02     -0.274634D+01     -0.305572D+01
   zy         0.646053D+01      0.957352D+00      0.106520D+01
   zz         0.113890D+03      0.168768D+02      0.187779D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-29\Freq\RLC-PBEPBE\Gen\C8H11N1\PIERPA\16-Aug-2021\0\\
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028200000
 0,3/108=0282000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )\\ROA calculations.\\0,1\C,1.772654,1.254975,0.322747\C,0.398664,1.09
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 EXPERIENCE IS THE FRUIT OF THE TREE OF ERRORS.
 Job cpu time:       0 days  3 hours 23 minutes 35.1 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 31.3 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:47:39 2021.
